data_1psb_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 1psb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 118.484 -0.769 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.439 -0.989 0 CA-C-O 117.87 -1.062 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 118.922 -0.561 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 119.007 -0.521 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.136 0.493 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? . . . . . 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 119.15 -0.452 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 . . . . . 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 . . . . . 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.425 0.631 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 121.207 0.527 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 119.341 -0.362 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.366 0.603 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 118.979 -0.534 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.408 ' HG ' ' CE1' ' B' ' 42' ' ' HIS . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CE1' ' HG ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.637 -0.696 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.18 -23.99 62.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -50.82 -37.57 43.57 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.978 0.808 . . . . 0.0 110.999 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -122.75 73.42 1.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.779 1.232 . . . . 0.0 109.079 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.39 -1.291 . . . . 0.0 111.669 173.456 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.73 -36.27 75.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.99 -59.98 2.48 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -82.33 70.59 9.3 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.972 -179.144 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.709 0.29 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 74.08 3.95 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.24 164.24 26.07 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.236 0.615 . . . . 0.0 109.951 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.05 51.95 1.22 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.533 0.733 . . . . 0.0 109.809 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -77.37 -21.58 53.04 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.744 0.818 . . . . 0.0 111.631 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -75.54 65.97 1.84 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.228 1.011 . . . . 0.0 112.385 -172.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.52 41.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.109 0.964 . . . . 0.0 111.014 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -70.45 47.6 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.814 1.646 . . . . 0.0 112.189 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.74 170.24 16.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.29 1.036 . . . . 0.0 110.028 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -78.51 60.02 2.55 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.487 0.715 . . . . 0.0 111.292 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -50.4 -31.09 13.94 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.143 1.377 . . . . 0.0 110.63 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.36 -42.85 3.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.353 1.461 . . . . 0.0 111.596 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -47.23 -39.06 13.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.16 0.984 . . . . 0.0 112.067 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -48.35 -36.69 14.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.42 1.088 . . . . 0.0 111.634 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.34 -48.06 3.79 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 109.202 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.64 -20.82 61.81 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -43.63 -45.16 6.72 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.325 0.966 . . . . 0.0 110.923 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.2 -42.77 99.36 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.12 -0.362 . . . . 0.0 110.058 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.15 -48.62 80.95 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -55.85 -43.37 76.99 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -60.05 -48.05 83.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -65.25 -36.67 84.84 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.837 -0.54 . . . . 0.0 111.745 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.66 -37.49 87.52 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.74 -40.93 4.17 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.628 1.585 . . . . 0.0 114.341 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -35.43 80.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.2 1.0 . . . . 0.0 111.563 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.468 -1.73 . . . . 0.0 111.464 -176.58 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -141.67 162.65 34.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 60.7 tp -153.48 160.1 42.46 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.49 88.53 0.92 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.33 177.69 0.12 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.517 1.927 . . . . 0.0 112.771 -177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -74.12 51.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.073 1.749 . . . . 0.0 113.895 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.81 71.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -79.14 46.73 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.921 0.888 . . . . 0.0 111.314 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.8 -66.39 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.411 1.884 . . . . 0.0 112.487 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 73.8 -65.17 0.36 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.575 1.95 . . . . 0.0 110.836 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -52.99 -47.85 67.92 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.237 1.815 . . . . 0.0 112.346 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -68.72 -55.03 12.67 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.753 0.787 . . . . 0.0 109.59 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.4 -39.42 72.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 112.716 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -45.29 22.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.61 -30.3 69.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.623 -0.673 . . . . 0.0 112.515 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -67.81 -48.39 66.39 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -53.1 -44.87 67.94 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -60.94 -46.88 88.9 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.332 -0.23 . . . . 0.0 111.048 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.91 -36.44 81.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.821 -0.549 . . . . 0.0 111.583 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.27 -40.46 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.676 0.671 . . . . 0.0 109.949 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.73 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 124.668 1.127 . . . . 0.0 111.765 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.24 -21.62 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.029 0.414 . . . . 0.0 111.772 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.139 0.976 . . . . 0.0 110.88 -176.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -90.23 -37.16 14.31 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.98 -63.74 1.26 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.74 73.6 2.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.25 1.095 0 C-N-CA 125.164 1.386 . . . . 0.0 109.288 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.0 -26.71 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -56.05 -37.44 69.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.673 0.67 . . . . 0.0 110.053 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -124.06 72.18 1.16 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.383 1.473 . . . . 0.0 113.174 -177.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.29 0.09 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 108.87 10.79 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.455 1.102 . . . . 0.0 108.825 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -50.59 135.67 22.57 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.486 1.114 . . . . 0.0 110.729 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 66.83 -60.25 0.35 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.449 1.9 . . . . 0.0 112.03 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -51.24 -42.56 61.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.987 0.915 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -58.38 -35.14 71.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.629 -0.67 . . . . 0.0 112.003 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.55 -44.62 42.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.422 0.689 . . . . 0.0 109.465 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.2 -27.95 66.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.007 0.523 . . . . 0.0 111.07 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.48 -7.13 54.47 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.96 0.904 . . . . 0.0 112.773 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -76.33 68.09 2.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.905 1.23 . . . . 0.0 110.615 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -44.36 -48.93 9.75 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.95 2.1 . . . . 0.0 111.784 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -43.93 -31.14 0.81 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.004 1.722 . . . . 0.0 113.359 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 p -120.37 10.51 11.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.274 1.83 . . . . 0.0 112.639 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.96 -30.26 70.34 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 120.528 -1.358 . . . . 0.0 112.223 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.68 -36.79 65.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.821 -0.549 . . . . 0.0 110.312 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.78 -1.42 57.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 120.108 1.322 . . . . 0.0 109.833 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.95 -56.23 24.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.617 0.767 . . . . 0.0 109.323 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.3 -49.59 63.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.345 0.658 . . . . 0.0 110.741 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -54.56 -46.75 73.72 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.0 0.92 . . . . 0.0 110.289 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -62.04 -46.86 87.31 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.777 -0.577 . . . . 0.0 110.679 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -59.95 -37.91 80.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.65 -38.75 84.25 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.799 -0.563 . . . . 0.0 110.478 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.45 79.61 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.616 0.627 . . . . 0.0 112.186 173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tt -41.1 -58.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.975 1.71 . . . . 0.0 111.79 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.888 -1.529 . . . . 0.0 109.441 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.529 0.204 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 63.47 -75.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.124 1.77 . . . . 0.0 113.051 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.27 -36.98 64.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.781 1.232 . . . . 0.0 109.972 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -36.5 -39.56 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.05 2.14 . . . . 0.0 113.165 172.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -47.54 -39.64 16.9 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.31 0.644 . . . . 0.0 111.666 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -58.58 -36.49 74.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.439 1.096 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.65 -34.67 17.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.244 0.618 . . . . 0.0 110.528 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 126.57 0.8 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.132 0.973 . . . . 0.0 109.412 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.33 3.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -79.3 39.58 0.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.28 -41.89 89.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.642 -0.661 . . . . 0.0 110.097 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -19.07 34.73 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -89.61 -15.55 32.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.816 0.735 . . . . 0.0 111.07 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -45.4 -44.24 11.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -58.84 -42.86 90.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.639 0.775 . . . . 0.0 111.593 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.27 -50.91 71.11 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -53.13 -44.86 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m -60.51 -54.39 46.08 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.066 0.546 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -59.94 -36.47 77.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.045 -0.41 . . . . 0.0 111.656 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.25 -39.23 75.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.52 -38.31 62.81 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.46 -6.41 30.23 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.934 -1.508 . . . . 0.0 112.477 -172.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -55.9 -24.35 36.86 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.99 -44.62 70.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.223 0.465 . . . . 0.0 110.094 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -77.56 71.45 4.04 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.314 -1.327 . . . . 0.0 110.227 -174.746 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -57.28 -36.62 71.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -78.97 72.53 5.49 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 168.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -61.49 80.59 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.941 1.296 . . . . 0.0 114.024 -169.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.432 1.893 . . . . 0.0 111.857 169.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -73.75 75.45 1.57 Allowed 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 mt 64.81 -159.29 0.29 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -168.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 64.7 -72.37 0.07 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.649 1.58 . . . . 0.0 110.827 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 30.66 47.36 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.621 2.768 . . . . 0.0 113.55 170.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -81.02 61.61 4.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -169.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 170.65 19.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.67 1.188 . . . . 0.0 108.638 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -133.5 165.46 24.83 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.86 63.48 1.19 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.568 0.747 . . . . 0.0 110.231 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -60.6 -52.32 65.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.797 0.439 . . . . 0.0 110.447 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -53.32 -32.97 51.55 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.025 0.83 . . . . 0.0 111.917 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.22 -10.0 59.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.603 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -130.25 -9.06 4.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.089 0.859 . . . . 0.0 113.315 -175.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -48.36 -49.48 34.3 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.164 1.385 . . . . 0.0 112.227 -169.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -32.0 66.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.047 1.339 . . . . 0.0 112.238 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt -93.98 1.57 56.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.95 -40.08 66.49 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.908 0.776 . . . . 0.0 111.388 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.3 -46.9 69.56 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.885 0.766 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.23 -35.04 63.85 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.537 1.135 . . . . 0.0 109.912 -172.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -63.31 -53.77 47.58 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -40.05 92.64 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.438 0.695 . . . . 0.0 110.372 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -29.99 9.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.668 1.187 . . . . 0.0 112.381 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.35 -27.24 68.37 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.22 0.918 . . . . 0.0 110.475 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.88 -31.41 31.69 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.022 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -1.25 57.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.428 1.114 . . . . 0.0 112.009 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.969 178.58 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.4 79.95 3.9 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -84.17 173.13 11.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -78.17 59.47 2.25 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.585 -0.697 . . . . 0.0 110.642 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -77.38 42.09 0.33 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.141 1.376 . . . . 0.0 111.62 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 42.7 m -157.91 33.4 0.26 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.867 1.667 . . . . 0.0 108.965 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 174.03 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.094 0.558 . . . . 0.0 111.045 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -48.65 -46.77 40.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.211 1.004 . . . . 0.0 111.129 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.0 47.81 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.522 1.129 . . . . 0.0 113.143 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -86.75 -52.13 5.69 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.027 0.931 . . . . 0.0 108.745 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -48.21 -33.25 8.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.929 0.892 . . . . 0.0 111.81 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.56 -41.09 1.39 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.328 1.451 . . . . 0.0 111.672 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -52.1 -34.84 45.83 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -51.14 -36.04 38.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.04 -46.41 81.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.043 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -52.33 -53.22 47.27 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.068 0.849 . . . . 0.0 109.882 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.72 -41.46 70.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.397 0.279 . . . . 0.0 110.426 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -60.9 -55.21 35.72 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.085 0.402 . . . . 0.0 110.613 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -64.97 -36.01 83.02 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.878 0.763 . . . . 0.0 112.335 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.22 -39.36 92.66 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.728 -0.608 . . . . 0.0 109.786 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.87 -28.98 49.54 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.423 1.487 . . . . 0.0 112.983 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.7 -37.35 83.8 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.946 0.873 . . . . 0.0 110.792 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 117.569 -1.205 . . . . 0.0 111.419 -172.258 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.48 -24.36 55.37 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -45.09 -38.07 4.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.159 0.436 . . . . 0.0 111.451 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -122.65 73.54 1.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.059 1.344 . . . . 0.0 108.518 170.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.897 172.069 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.34 -33.76 71.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -47.1 -50.32 20.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.179 0.592 . . . . 0.0 109.9 169.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -83.3 71.21 10.24 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.156 -1.402 . . . . 0.0 110.787 -178.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 120.655 0.264 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -78.14 65.08 3.44 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.311 0.644 . . . . 0.0 109.998 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp 68.23 -64.1 0.31 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 127.337 2.255 . . . . 0.0 110.411 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? 51.97 38.97 25.15 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.883 1.273 . . . . 0.0 109.572 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.55 62.07 4.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 -169.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 8.3 m -57.22 -38.52 73.88 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 64.94 0.72 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.363 1.065 . . . . 0.0 111.179 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -101.97 -171.14 1.92 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.278 1.431 . . . . 0.0 108.509 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.7 41.81 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.042 0.937 . . . . 0.0 113.29 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 64.4 -30.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.717 2.407 . . . . 0.0 117.128 170.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -50.53 -38.29 43.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -169.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.92 -19.04 65.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.595 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -124.86 -13.76 6.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.289 1.436 . . . . 0.0 113.439 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -45.58 -48.47 14.48 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.798 1.181 . . . . 0.0 114.062 -168.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -46.86 80.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 0.0 110.761 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.18 -44.65 75.42 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -52.11 -53.84 37.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.741 0.817 . . . . 0.0 110.175 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.2 mt -57.58 -46.84 83.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.519 0.328 . . . . 0.0 110.349 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -59.63 -50.14 75.02 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.935 -0.478 . . . . 0.0 111.073 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.57 -43.17 84.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.412 0.685 . . . . 0.0 110.593 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 73.2 m -60.0 -46.33 89.83 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.65 -35.95 82.21 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.057 -0.402 . . . . 0.0 111.651 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.83 -39.99 95.54 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -22.58 53.59 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.659 1.124 . . . . 0.0 114.875 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.83 -48.68 79.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.432 1.616 . . . . 0.0 111.877 -172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.956 -178.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.575 0.226 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 79.88 3.02 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.22 160.34 33.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.74 0.816 . . . . 0.0 110.089 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.3 57.04 3.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.295 1.838 . . . . 0.0 112.968 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 160.76 27.15 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -45.66 -50.69 13.25 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.375 1.07 . . . . 0.0 112.769 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.01 -44.25 82.6 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.669 0.388 . . . . 0.0 111.379 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -43.83 87.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.42 0.688 . . . . 0.0 109.728 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -51.6 69.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.051 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.15 -50.78 68.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.536 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -49.69 -51.01 41.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.0 0.92 . . . . 0.0 110.89 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -63.87 0.04 0.95 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p -129.57 17.29 5.87 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 119.842 1.201 . . . . 0.0 112.899 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -53.18 -46.3 68.91 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.02 -52.0 67.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.292 0.497 . . . . 0.0 110.659 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -52.06 -54.62 27.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.494 0.717 . . . . 0.0 111.056 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -50.84 -48.63 59.88 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.82 1.648 . . . . 0.0 109.579 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 49.3 m -61.47 -49.86 75.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.302 0.501 . . . . 0.0 110.835 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -63.01 -37.71 88.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.905 -0.497 . . . . 0.0 111.124 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.93 -39.9 72.39 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 171.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.76 -18.16 44.92 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 127.321 2.391 . . . . 0.0 113.45 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -40.66 22.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.012 0.906 . . . . 0.0 108.828 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.278 -1.344 . . . . 0.0 108.346 169.41 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -64.65 -35.0 79.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.36 -49.58 73.31 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -76.7 69.62 3.1 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.27 -175.5 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -59.25 -37.46 77.63 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.42 -58.02 7.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.374 0.27 . . . . 0.0 110.331 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -82.38 71.11 9.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.775 -0.578 . . . . 0.0 109.662 -175.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 125.304 1.442 . . . . 0.0 109.218 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 62.81 3.14 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -120.12 148.17 43.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.703 1.601 . . . . 0.0 107.518 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 68.42 -67.93 0.19 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.406 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.83 -37.57 52.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.768 1.227 . . . . 0.0 110.231 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -34.96 -44.06 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.853 2.061 . . . . 0.0 112.859 170.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.32 88.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.473 0.709 . . . . 0.0 112.612 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.56 76.32 4.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 122.032 0.92 . . . . 0.0 110.261 -173.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.37 -36.53 0.35 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.759 2.024 . . . . 0.0 113.43 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -48.37 -55.57 10.42 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.925 0.89 . . . . 0.0 112.177 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.09 -46.89 85.26 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -55.42 -32.9 63.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.109 0.564 . . . . 0.0 111.143 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 36.8 m -72.75 -15.06 61.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.232 1.013 . . . . 0.0 112.426 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -46.47 -50.48 16.84 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.771 1.169 . . . . 0.0 112.493 -169.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.756 0.422 . . . . 0.0 110.335 -177.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.71 -30.4 59.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -48.25 -44.97 33.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.894 0.77 . . . . 0.0 111.015 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.25 -57.42 12.94 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.925 0.49 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -53.25 -50.09 65.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.401 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.1 -38.98 68.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.842 1.257 . . . . 0.0 111.086 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 69.2 m -61.61 -49.42 76.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.795 -0.566 . . . . 0.0 109.84 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -37.66 88.18 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.916 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.83 -36.21 83.59 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.687 -0.633 . . . . 0.0 110.42 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.49 94.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.69 -34.2 74.0 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 110.474 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 126.056 1.742 . . . . 0.0 111.943 179.473 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.96 144.75 57.08 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 32.1 mt 71.4 -58.88 0.56 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -45.57 63.93 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.324 1.049 . . . . 0.0 109.922 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? 57.5 -83.19 0.02 OUTLIER 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.818 1.647 . . . . 0.0 111.818 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 41.5 m 55.17 -80.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.771 2.029 . . . . 0.0 112.623 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.79 -34.81 79.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.128 0.571 . . . . 0.0 110.008 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.74 67.87 1.64 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.278 0.631 . . . . 0.0 109.439 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 38.08 0.12 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.252 1.421 . . . . 0.0 112.702 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.68 -59.88 0.23 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.901 2.48 . . . . 0.0 113.222 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.9 -45.42 7.57 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.634 1.573 . . . . 0.0 112.538 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -50.74 -26.94 6.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p -61.85 -21.31 64.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.118 0.872 . . . . 0.0 112.296 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -39.68 8.53 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.52 -31.97 1.27 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.189 0.996 . . . . 0.0 112.937 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -52.11 -31.79 32.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.065 0.946 . . . . 0.0 112.544 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -59.0 -29.94 67.62 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.421 1.01 . . . . 0.0 111.33 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -63.72 -43.76 95.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.731 -0.605 . . . . 0.0 109.756 172.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -66.3 -36.98 84.34 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.41 -38.74 88.14 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.45 -46.27 81.18 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.16 -62.62 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.552 0.741 . . . . 0.0 109.543 173.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 116.704 -1.617 . . . . 0.0 110.205 172.721 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.12 -35.66 80.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.75 -67.37 0.6 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.206 1.002 . . . . 0.0 110.21 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -85.63 70.62 10.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.003 -179.318 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.15 -31.25 65.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.07 -25.36 63.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.27 0.487 . . . . 0.0 111.903 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -104.23 73.22 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.494 1.518 . . . . 0.0 107.548 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.289 -1.339 . . . . 0.0 110.717 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.51 110.34 0.76 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.735 0.814 . . . . 0.0 109.844 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.2 mt 53.54 39.55 30.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.2 1.0 . . . . 0.0 110.681 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -67.57 0.24 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.292 1.437 . . . . 0.0 109.176 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 68.87 -54.75 0.55 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.23 1.812 . . . . 0.0 113.692 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m 73.79 -50.68 0.69 Allowed 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 126.108 1.763 . . . . 0.0 112.584 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.07 67.86 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 111.609 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -150.38 160.49 43.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.117 1.367 . . . . 0.0 109.334 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.4 -137.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 171.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -65.55 0.34 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.529 1.531 . . . . 0.0 110.366 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -50.99 -36.05 37.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -46.87 -34.58 5.52 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.37 0.668 . . . . 0.0 112.319 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.4 m -48.37 -40.86 27.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.065 0.946 . . . . 0.0 111.524 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.93 -30.28 23.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.878 0.763 . . . . 0.0 112.379 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 -48.31 3.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.799 0.84 . . . . 0.0 109.324 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.4 -26.05 62.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -44.97 -41.27 7.15 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.955 1.302 . . . . 0.0 111.413 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.21 -47.65 76.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.806 0.73 . . . . 0.0 109.846 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -57.59 -50.25 73.73 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.031 0.933 . . . . 0.0 109.029 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -52.33 58.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.678 176.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 62.7 m -62.8 -38.96 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.934 -0.478 . . . . 0.0 110.785 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -64.34 -36.24 83.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.859 -0.525 . . . . 0.0 111.634 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.93 -38.96 90.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.236 0.925 . . . . 0.0 109.277 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.92 -20.28 25.79 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 127.082 2.277 . . . . 0.0 114.499 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.64 -33.19 54.32 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.7 1.25 . . . . 0.0 110.595 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.387 1.475 . . . . 0.0 109.283 171.342 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.51 -40.98 63.05 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.122 0.569 . . . . 0.0 110.933 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.77 -30.28 63.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.072 0.949 . . . . 0.0 111.778 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -87.67 -49.0 7.44 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.727 0.811 . . . . 0.0 108.875 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -47.1 -51.58 17.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.97 0.908 . . . . 0.0 109.95 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p 46.16 -97.43 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.878 2.071 . . . . 0.0 112.394 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.74 88.59 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.718 0.807 . . . . 0.0 111.501 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 152.89 -54.38 0.0 OUTLIER 'General case' 0 C--O 1.23 0.063 0 C-N-CA 130.001 3.321 . . . . 0.0 105.243 -173.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 173.67 164.6 0.17 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 128.188 2.595 . . . . 0.0 105.944 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 65.88 1.72 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 170.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.62 -50.35 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.346 1.858 . . . . 0.0 111.881 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -49.28 -27.03 3.45 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 0.0 114.007 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p -57.68 -28.8 64.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 112.16 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -47.92 -48.96 31.47 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -56.23 -50.0 72.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.381 -0.824 . . . . 0.0 109.669 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.49 73.52 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.343 1.057 . . . . 0.0 109.181 175.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 34.0 m -59.87 -45.71 91.62 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.389 -0.82 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -63.88 -38.72 92.13 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.737 -0.602 . . . . 0.0 111.278 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.32 -33.45 75.86 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.539 -0.725 . . . . 0.0 110.153 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 1.89 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.517 -1.157 . . . . 0.0 113.606 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.09 -55.14 38.86 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.899 1.849 . . . . 0.0 108.236 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.904 -1.522 . . . . 0.0 109.751 169.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.37 -36.52 73.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -74.83 -67.48 0.64 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -83.74 72.48 10.35 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.858 -0.527 . . . . 0.0 110.494 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.647 1.579 . . . . 0.0 108.969 170.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.39 -36.77 76.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.44 -57.98 10.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.837 0.455 . . . . 0.0 110.613 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -81.84 71.61 8.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.266 0.555 . . . . 0.0 109.802 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.132 -1.413 . . . . 0.0 110.785 177.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -138.97 65.26 1.45 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.678 1.191 . . . . 0.0 108.545 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -76.96 63.34 2.26 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.616 0.766 . . . . 0.0 109.779 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 64.95 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.688 1.995 . . . . 0.0 111.892 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 71.33 -51.17 0.69 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.672 1.989 . . . . 0.0 112.105 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -69.24 71.59 0.27 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.123 0.969 . . . . 0.0 110.094 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 76.45 0.36 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.148 . . . . 0.0 110.841 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -73.36 45.08 0.16 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.921 1.688 . . . . 0.0 112.744 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.26 8.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.163 0.985 . . . . 0.0 110.086 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.42 60.45 0.86 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.067 0.547 . . . . 0.0 110.15 176.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -82.17 -62.44 1.62 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.036 0.934 . . . . 0.0 109.37 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mp0 -54.78 -34.49 62.69 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.625 1.17 . . . . 0.0 110.538 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -41.81 -36.85 1.11 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.891 2.076 . . . . 0.0 112.755 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -48.97 -41.15 33.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.353 0.979 . . . . 0.0 111.006 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -97.28 -50.98 4.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.642 0.777 . . . . 0.0 109.039 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.69 -22.17 66.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -53.46 -42.76 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.506 1.048 . . . . 0.0 110.472 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.75 -43.97 82.69 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.75 -49.26 78.19 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.336 0.254 . . . . 0.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -54.46 -49.04 71.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.381 1.072 . . . . 0.0 110.197 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -60.43 -48.18 82.88 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -59.46 -35.77 74.7 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.714 -0.616 . . . . 0.0 111.406 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 53.1 mt -67.94 -11.19 58.31 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.94 55.04 0.47 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.09 -34.2 74.56 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.578 0.689 . . . . 0.0 110.556 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.194 -1.384 . . . . 0.0 108.538 169.216 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 51.0 pttt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.44 -55.16 3.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.295 1.038 . . . . 0.0 109.67 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.06 152.49 39.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -76.35 59.91 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 110.365 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -70.04 77.24 0.5 Allowed 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -75.59 39.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.774 1.629 . . . . 0.0 113.234 -169.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.72 58.04 2.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.096 0.958 . . . . 0.0 109.688 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -72.35 -0.56 12.69 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.02 68.98 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.499 -0.751 . . . . 0.0 109.61 171.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.59 52.65 0.66 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.476 1.11 . . . . 0.0 111.345 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -48.95 -36.06 16.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.963 1.305 . . . . 0.0 111.762 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -45.78 -30.74 1.74 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.905 1.682 . . . . 0.0 113.184 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -66.25 -22.98 66.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -33.59 8.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 -41.97 91.08 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.09 1.314 . . . . 0.0 111.452 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.98 -48.85 80.0 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.536 -0.728 . . . . 0.0 109.638 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -54.58 -43.32 72.01 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.17 -0.331 . . . . 0.0 110.196 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -60.91 -46.66 89.76 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.126 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -60.43 -37.86 82.25 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.86 0.754 . . . . 0.0 111.28 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.64 -36.58 81.04 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.725 -0.609 . . . . 0.0 110.996 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.94 -41.23 99.93 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.46 -46.37 88.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.065 0.946 . . . . 0.0 108.925 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.41 -1.281 . . . . 0.0 110.57 170.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.23 -18.68 17.09 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -52.21 -42.28 63.41 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.617 1.099 . . . . 0.0 109.392 169.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -73.85 71.41 1.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.093 -1.432 . . . . 0.0 110.648 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.28 -35.69 70.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.2 -34.79 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.679 -0.638 . . . . 0.0 111.864 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -124.81 72.38 1.22 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.139 0.976 . . . . 0.0 109.078 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.055 -177.645 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.816 0.341 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -56.04 119.84 6.52 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.5 mt 53.8 36.55 24.28 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.436 1.094 . . . . 0.0 111.079 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -73.88 0.09 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.84 1.256 . . . . 0.0 108.036 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 35.39 72.15 0.11 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.686 1.994 . . . . 0.0 112.07 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -47.96 -43.9 29.8 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.667 1.187 . . . . 0.0 113.203 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.98 44.2 0.46 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -81.03 56.09 2.68 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.887 -1.133 . . . . 0.0 109.69 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.97 22.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.018 0.927 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -76.94 67.02 2.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.64 0.776 . . . . 0.0 109.935 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -27.46 0.88 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.709 2.004 . . . . 0.0 113.756 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -43.15 -37.01 1.89 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.419 1.488 . . . . 0.0 111.919 171.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -43.96 -37.48 2.94 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.802 1.241 . . . . 0.0 112.403 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -50.35 -44.33 54.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.236 0.925 . . . . 0.0 111.153 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.24 -45.78 10.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.683 0.793 . . . . 0.0 109.708 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.67 -3.18 17.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -43.03 -52.44 5.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 127.892 2.477 . . . . 0.0 111.486 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.99 -56.16 25.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.72 -54.31 35.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.244 1.018 . . . . 0.0 109.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -52.9 -51.11 62.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.937 0.895 . . . . 0.0 110.283 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 85.8 m -60.58 -42.48 96.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.469 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -23.04 52.13 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -32.36 72.1 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.737 0.699 . . . . 0.0 109.811 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.56 73.43 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.988 -0.445 . . . . 0.0 112.385 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.56 -53.58 5.31 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.358 -1.306 . . . . 0.0 109.433 171.65 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.551 0.215 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.25 86.81 0.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 173.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.2 mt 64.87 -159.26 0.29 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 70.75 -50.16 0.67 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.191 1.396 . . . . 0.0 110.627 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -50.24 -34.99 24.93 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.577 -0.702 . . . . 0.0 110.149 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 30.1 p -68.52 70.16 0.17 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.963 1.705 . . . . 0.0 109.746 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.72 100.51 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 110.78 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -74.23 -1.39 20.33 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.265 -0.897 . . . . 0.0 113.119 -172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.17 59.19 0.97 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.644 1.178 . . . . 0.0 111.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -57.79 -12.7 3.26 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.401 1.08 . . . . 0.0 113.695 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -46.57 -38.76 9.94 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.595 0.758 . . . . 0.0 109.442 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.1 -37.4 53.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.341 0.656 . . . . 0.0 112.492 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -3.07 55.48 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.233 1.013 . . . . 0.0 112.295 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -56.34 -35.92 68.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.62 -47.86 81.9 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.5 1.045 . . . . 0.0 110.236 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -53.82 -49.59 68.03 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.207 -0.308 . . . . 0.0 110.193 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -44.88 77.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.016 0.526 . . . . 0.0 110.79 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.65 -45.83 92.61 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -67.17 -38.19 85.01 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.229 -0.294 . . . . 0.0 110.812 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.62 -39.9 73.46 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.984 -175.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.4 58.54 0.43 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.38 -53.7 55.13 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.624 1.169 . . . . 0.0 109.621 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.236 176.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.33 -35.79 78.32 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -52.26 -55.59 20.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.192 0.997 . . . . 0.0 109.715 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -81.14 69.95 7.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.533 -175.118 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.92 -36.11 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.27 -47.15 77.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.952 -0.468 . . . . 0.0 110.359 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -122.85 70.56 1.01 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.69 0.396 . . . . 0.0 110.147 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.564 -178.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -116.7 111.26 19.55 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 tp 71.2 -46.93 0.65 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.139 1.776 . . . . 0.0 112.258 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 75.29 0.74 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -164.99 -10.45 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.278 1.431 . . . . 0.0 112.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -76.0 45.41 0.35 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.094 1.758 . . . . 0.0 112.381 -171.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.54 -75.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.437 1.495 . . . . 0.0 108.918 -169.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.52 152.13 46.17 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.798 1.239 . . . . 0.0 109.282 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.65 -114.71 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.176 0.991 . . . . 0.0 109.504 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -109.45 -69.47 0.86 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.041 0.936 . . . . 0.0 111.526 -175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -47.29 -59.49 3.15 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.259 1.023 . . . . 0.0 111.332 -169.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -17.52 20.21 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.2 p -113.53 5.18 16.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.812 1.245 . . . . 0.0 112.249 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.63 -49.0 68.82 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.629 1.559 . . . . 0.0 110.793 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -42.4 32.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.284 1.833 . . . . 0.0 111.832 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.07 -12.21 36.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -55.17 -26.48 39.18 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 124.132 0.973 . . . . 0.0 111.906 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.54 -41.55 76.99 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.637 -0.664 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -69.43 -42.81 74.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.417 -0.802 . . . . 0.0 110.102 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.07 -43.4 73.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.537 0.684 . . . . 0.0 109.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.6 m -61.21 -40.76 95.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.027 0.531 . . . . 0.0 110.138 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -38.09 78.81 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.523 1.056 . . . . 0.0 111.518 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.67 -36.23 83.17 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.78 -50.82 56.6 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 169.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.03 -34.81 78.85 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.13 0.965 . . . . 0.0 111.777 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.254 1.302 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.326 -172.492 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.4 124.0 18.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 51.3 tp -167.19 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? 64.78 -67.6 0.12 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.925 2.09 . . . . 0.0 111.939 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 123.57 10.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.96 2.504 . . . . 0.0 111.657 -169.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m 65.96 -69.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.033 1.733 . . . . 0.0 113.534 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -35.02 -63.03 0.35 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 127.016 2.126 . . . . 0.0 113.155 -169.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -116.33 27.27 9.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.619 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.09 57.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.713 -0.617 . . . . 0.0 110.841 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -79.36 69.88 5.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.424 0.689 . . . . 0.0 109.232 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -43.76 -34.78 1.64 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.567 1.547 . . . . 0.0 111.781 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.75 -44.03 3.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.538 1.535 . . . . 0.0 111.35 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p -48.13 -40.43 23.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.692 0.797 . . . . 0.0 112.182 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -43.87 -39.72 4.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.52 -45.23 81.22 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.978 -0.451 . . . . 0.0 110.567 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -60.48 -52.84 63.48 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.565 0.746 . . . . 0.0 109.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -50.86 -46.86 60.43 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.376 0.67 . . . . 0.0 109.865 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -60.42 -50.44 73.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.229 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -62.4 -37.41 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.625 0.648 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 54.1 tp -64.53 -37.8 88.81 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.935 -0.478 . . . . 0.0 109.774 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.08 -33.32 10.3 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.835 1.684 . . . . 0.0 114.203 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.9 -33.92 75.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.519 1.159 . . . . 0.0 111.621 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.357 -173.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -66.84 -37.24 84.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -66.71 -66.78 0.51 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -86.04 69.58 10.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.926 -1.512 . . . . 0.0 111.384 179.252 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.39 -35.95 82.57 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.89 -69.13 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -89.62 70.14 7.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.676 -177.223 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.858 0.361 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -91.24 -12.29 35.66 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.59 0.756 . . . . 0.0 111.465 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 64.8 tp -131.64 153.3 50.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 71.57 -53.47 0.68 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.69 1.596 . . . . 0.0 109.944 -169.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 71.54 -68.03 0.23 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.623 1.969 . . . . 0.0 108.454 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -67.69 130.63 43.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.267 1.027 . . . . 0.0 109.822 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 66.53 1.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -78.18 53.04 1.17 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.573 0.749 . . . . 0.0 111.927 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.09 -178.77 4.3 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.118 1.367 . . . . 0.0 107.634 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 73.45 -49.48 0.69 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.942 1.697 . . . . 0.0 112.662 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -50.32 -33.11 19.01 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.849 1.26 . . . . 0.0 113.539 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 pm0 -46.04 -33.0 3.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.354 1.062 . . . . 0.0 113.567 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.3 m -50.14 -32.21 15.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.626 1.17 . . . . 0.0 111.64 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -47.05 -40.65 15.36 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.659 0.784 . . . . 0.0 111.404 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.35 -50.86 4.83 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.13 -31.72 61.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -43.82 -47.19 8.09 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.972 1.309 . . . . 0.0 111.325 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.47 -61.01 2.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.523 0.601 . . . . 0.0 109.608 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -37.27 76.65 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.955 -0.465 . . . . 0.0 111.132 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.45 -48.89 76.1 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 122.127 -0.358 . . . . 0.0 110.167 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -61.08 -46.28 91.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.105 0.412 . . . . 0.0 110.073 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -62.44 -37.47 86.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.992 -0.442 . . . . 0.0 111.03 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.96 -40.49 68.61 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -37.9 84.22 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 125.128 1.347 . . . . 0.0 111.641 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.37 -25.57 59.68 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.137 0.468 . . . . 0.0 111.354 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.165 1.386 . . . . 0.0 112.591 169.376 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.514 0.673 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.91 110.16 1.47 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 37.1 mt 66.36 32.8 7.42 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.289 1.436 . . . . 0.0 111.629 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.36 -45.39 0.58 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.142 1.777 . . . . 0.0 113.44 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 43.65 62.09 2.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.312 1.845 . . . . 0.0 113.851 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -35.66 6.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.233 1.813 . . . . 0.0 113.383 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.78 -8.42 6.79 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.54 135.27 6.55 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.992 0.815 . . . . 0.0 111.029 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -58.96 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.157 1.783 . . . . 0.0 112.187 -173.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.34 58.6 2.63 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.795 0.838 . . . . 0.0 109.91 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -43.5 9.36 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.451 1.1 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -43.8 -30.8 0.71 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.079 1.752 . . . . 0.0 113.765 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -38.42 -44.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.083 0.953 . . . . 0.0 111.782 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -44.79 -35.12 2.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -48.65 75.96 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.187 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.48 -40.08 64.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.416 -0.802 . . . . 0.0 109.501 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -53.7 -51.15 64.17 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -68.08 -51.24 48.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.471 0.708 . . . . 0.0 110.587 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -65.78 -36.34 83.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.936 -0.478 . . . . 0.0 111.18 -172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.5 -40.54 76.94 Favored 'General case' 0 C--O 1.227 -0.106 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.03 -37.99 30.78 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.123 1.345 . . . . 0.0 112.737 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.98 -33.8 69.28 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.168 0.984 . . . . 0.0 112.114 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.475 1.11 . . . . 0.0 111.491 -176.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.7 -37.19 78.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -14.71 61.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.686 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -123.84 69.13 1.04 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 171.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.505 -1.712 . . . . 0.0 111.398 -178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.26 -35.65 79.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.3 -64.11 0.93 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.397 0.544 . . . . 0.0 109.681 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -86.07 72.12 10.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.367 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.852 -0.055 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 76.27 -54.24 0.6 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.068 1.747 . . . . 0.0 110.926 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.16 85.26 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.314 1.046 . . . . 0.0 109.304 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 73.66 -57.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.471 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.58 66.83 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.227 1.811 . . . . 0.0 109.434 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.2 p -80.93 69.05 7.42 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.546 1.538 . . . . 0.0 108.193 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.44 -89.76 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.258 1.823 . . . . 0.0 110.579 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.5 -27.46 62.28 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.908 0.483 . . . . 0.0 110.495 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 80.48 123.48 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.816 2.046 . . . . 0.0 111.824 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -44.3 -52.34 7.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.103 1.361 . . . . 0.0 111.939 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -47.55 -45.41 26.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.038 0.935 . . . . 0.0 112.051 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.565 0.346 . . . . 0.0 110.816 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 40.3 p -66.9 -28.8 68.6 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.526 -0.734 . . . . 0.0 111.476 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -48.17 -50.35 29.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.33 0.968 . . . . 0.0 112.393 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.91 -33.68 57.34 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.736 0.814 . . . . 0.0 112.0 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -89.98 -37.97 13.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -35.98 78.45 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.406 -0.809 . . . . 0.0 109.761 172.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.85 -51.98 46.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.772 0.715 . . . . 0.0 110.057 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -55.39 -53.47 55.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.2 -42.57 66.42 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -61.04 -44.64 97.09 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.292 0.637 . . . . 0.0 109.484 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -65.8 -35.27 80.22 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.067 -0.396 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.87 -38.8 87.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.387 0.994 . . . . 0.0 109.454 169.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.74 -21.87 10.57 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 127.603 2.525 . . . . 0.0 115.999 -169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.66 -37.48 63.19 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.86 1.33 . . . . 0.0 109.855 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.281 169.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.278 0.085 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.94 75.58 0.64 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.066 0.947 . . . . 0.0 109.42 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 41.2 mt 71.93 166.22 0.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.41 1.884 . . . . 0.0 109.416 -169.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.87 40.2 30.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.607 0.763 . . . . 0.0 109.509 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -45.93 -35.21 4.45 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.924 0.89 . . . . 0.0 113.205 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m 75.07 -56.16 0.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.602 1.161 . . . . 0.0 109.141 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.18 68.47 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.209 1.004 . . . . 0.0 108.76 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 152.72 29.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.868 1.667 . . . . 0.0 108.612 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 9.81 5.73 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.111 0.964 . . . . 0.0 111.603 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 66.65 -72.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.772 1.629 . . . . 0.0 111.529 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -61.58 -62.75 1.59 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.616 0.644 . . . . 0.0 110.31 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -57.23 -38.13 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -26.71 64.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -23.1 9.97 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.71 -31.88 49.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.326 0.966 . . . . 0.0 112.015 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.94 -41.46 71.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.734 0.414 . . . . 0.0 110.884 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -56.51 -50.03 72.99 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -62.35 -52.14 64.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.972 -0.455 . . . . 0.0 111.089 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -59.4 -37.1 77.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.134 0.574 . . . . 0.0 111.832 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.3 -39.93 14.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.214 0.461 . . . . 0.0 109.993 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.33 -33.65 76.78 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.372 0.987 . . . . 0.0 113.137 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 tp -54.97 -33.82 62.78 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.292 1.046 . . . . 0.0 110.923 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 116.918 -1.515 . . . . 0.0 109.584 177.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.53 -37.77 88.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.73 -40.72 96.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.523 0.602 . . . . 0.0 110.429 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -78.58 71.19 5.03 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.372 178.052 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.1 -36.23 74.8 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.51 -70.29 0.43 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -87.25 71.52 10.03 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.4 -1.286 . . . . 0.0 110.716 178.785 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -52.63 45.93 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 172.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 69.1 mt -52.08 -60.34 3.31 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.582 1.153 . . . . 0.0 110.511 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -76.2 71.81 2.95 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 172.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.96 164.19 6.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.919 1.287 . . . . 0.0 111.653 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 99.8 p 56.1 -108.75 0.45 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.111 1.764 . . . . 0.0 112.081 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.81 -163.69 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.781 1.232 . . . . 0.0 111.272 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -79.74 -4.34 51.48 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.674 -0.641 . . . . 0.0 111.955 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.75 -61.46 2.17 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 80.19 5.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 169.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -44.99 -27.55 0.56 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.439 1.496 . . . . 0.0 113.412 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.69 -40.7 2.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.446 1.098 . . . . 0.0 111.457 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -38.39 -44.36 0.91 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.273 1.829 . . . . 0.0 113.347 173.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.65 -31.47 10.98 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.424 0.556 . . . . 0.0 111.466 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -106.7 -48.21 3.58 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.244 1.418 . . . . 0.0 109.764 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -77.25 -5.8 50.7 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -45.55 -36.94 4.97 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.561 1.073 . . . . 0.0 112.046 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.31 -42.83 70.56 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.047 0.84 . . . . 0.0 111.134 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.2 -48.75 64.38 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.76 -0.588 . . . . 0.0 109.873 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -55.15 -50.86 68.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.602 0.715 . . . . 0.0 110.312 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.4 p -61.36 -45.03 96.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.027 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -35.76 76.68 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 120.064 1.302 . . . . 0.0 110.922 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.23 -38.2 90.21 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.894 0.77 . . . . 0.0 109.435 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.34 -54.99 31.87 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 123.369 0.509 . . . . 0.0 112.093 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.84 -37.27 86.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 117.653 0.727 . . . . 0.0 111.307 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.629 3.572 . . . . 0.0 107.144 -169.573 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -136.21 151.05 49.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.5 mt 73.26 169.49 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.074 1.75 . . . . 0.0 112.2 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 72.75 -58.76 0.59 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.833 2.053 . . . . 0.0 109.624 -169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 47.65 -128.0 1.73 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.86 1.664 . . . . 0.0 109.108 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -74.36 56.03 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.484 1.114 . . . . 0.0 111.426 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.63 59.58 3.83 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.456 1.503 . . . . 0.0 112.484 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -74.3 54.18 0.55 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.299 0.64 . . . . 0.0 112.153 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 141.01 49.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.307 -0.87 . . . . 0.0 110.805 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -76.18 69.34 2.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -46.44 -32.6 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.874 1.67 . . . . 0.0 111.849 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.67 -46.0 7.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.052 1.341 . . . . 0.0 111.961 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p -55.43 -44.82 76.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.511 0.724 . . . . 0.0 111.874 -170.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -45.19 -36.53 3.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -47.87 -41.81 25.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 117.867 0.303 . . . . 0.0 111.812 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.13 70.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -61.49 -47.28 86.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.527 -0.733 . . . . 0.0 109.103 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 3.2 p -61.74 -37.95 86.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 117.639 0.2 . . . . 0.0 110.821 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -58.21 -38.0 75.92 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.34 26.66 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.763 0.825 . . . . 0.0 111.69 173.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.83 -51.69 0.19 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.119 -1.992 . . . . 0.0 108.119 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.05 -48.7 80.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.191 0.996 . . . . 0.0 109.919 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.844 -1.55 . . . . 0.0 112.387 -178.177 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.59 -27.81 64.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.83 -40.97 22.71 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.87 69.3 1.19 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 169.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.264 -178.241 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -59.4 -35.68 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -57.76 -40.58 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.359 173.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.7 69.86 3.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.802 -170.014 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -109.97 113.72 26.67 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -48.91 135.87 14.94 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.366 0.666 . . . . 0.0 110.347 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 67.29 -63.05 0.3 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.252 1.821 . . . . 0.0 111.671 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -52.32 -37.86 57.01 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.468 1.507 . . . . 0.0 112.442 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -49.73 -36.05 24.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.615 0.643 . . . . 0.0 111.716 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.63 42.71 1.24 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.055 0.542 . . . . 0.0 110.139 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -51.31 5.81 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -172.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.53 64.38 1.63 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.112 0.965 . . . . 0.0 112.796 -169.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.93 63.54 1.74 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -46.58 -45.67 19.03 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -48.29 -39.8 22.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.365 1.066 . . . . 0.0 112.503 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -59.19 -32.66 70.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.239 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -55.86 -46.34 78.27 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.831 1.196 . . . . 0.0 110.815 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -73.86 -50.94 17.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -69.92 -21.54 63.28 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -44.94 -46.25 10.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 125.939 1.696 . . . . 0.0 111.583 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.89 -50.67 71.25 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.293 0.497 . . . . 0.0 110.179 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -53.07 61.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.902 0.881 . . . . 0.0 109.164 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -50.75 -51.54 49.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.664 0.786 . . . . 0.0 109.844 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -62.25 -46.49 88.59 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.77 0.428 . . . . 0.0 110.83 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -64.13 -36.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.315 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.53 -40.93 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.07 56.73 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -54.65 39.34 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.586 0.708 . . . . 0.0 109.166 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.87 -1.538 . . . . 0.0 111.673 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mttp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.771 0.319 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -148.17 -177.91 6.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.684 1.994 . . . . 0.0 106.162 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.82 -39.48 65.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.003 0.521 . . . . 0.0 110.09 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -69.59 77.52 0.42 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -149.61 156.18 41.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.522 1.129 . . . . 0.0 108.158 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -71.39 58.55 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.069 1.747 . . . . 0.0 112.814 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 67.25 -59.66 0.39 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.169 2.188 . . . . 0.0 113.596 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.57 73.19 2.58 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.748 0.819 . . . . 0.0 110.315 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.65 81.05 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.441 1.097 . . . . 0.0 108.665 170.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -34.46 -67.32 0.14 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.463 1.505 . . . . 0.0 114.401 -169.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -47.36 -61.67 1.8 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 0.0 111.002 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.08 -46.96 75.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.983 0.513 . . . . 0.0 111.171 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p -64.33 -33.33 75.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -47.57 -34.31 7.59 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.49 -43.51 68.27 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.583 0.753 . . . . 0.0 111.089 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -53.46 -54.52 35.78 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.196 0.522 . . . . 0.0 109.743 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -57.61 -42.47 83.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.677 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 23.6 m -60.58 -51.23 70.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.844 0.458 . . . . 0.0 109.849 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -66.58 -37.23 84.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.907 -0.496 . . . . 0.0 111.075 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.65 -38.46 80.48 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.957 -0.465 . . . . 0.0 110.686 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.05 -29.62 28.67 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.671 1.605 . . . . 0.0 113.922 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.63 -26.66 65.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.816 0.808 . . . . 0.0 111.962 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.158 -1.401 . . . . 0.0 108.968 176.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.4 -36.44 71.3 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.35 -37.18 84.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -77.79 71.57 4.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.31 -1.328 . . . . 0.0 110.561 177.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.05 -36.5 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.12 -44.65 71.99 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.803 -0.561 . . . . 0.0 110.59 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -120.53 71.39 0.92 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.896 0.479 . . . . 0.0 109.948 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.411 -1.28 . . . . 0.0 110.563 177.403 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -77.77 63.38 2.82 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.102 0.961 . . . . 0.0 111.721 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.0 55.06 2.03 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.607 -0.683 . . . . 0.0 110.081 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 64.94 -67.34 0.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.362 1.865 . . . . 0.0 111.745 -173.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -34.63 129.89 0.4 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.706 2.002 . . . . 0.0 111.512 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.62 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -168.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.04 74.33 1.2 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 119.796 1.18 . . . . 0.0 108.064 170.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -78.06 50.53 0.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.835 0.854 . . . . 0.0 110.765 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 115.3 2.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.114 0.966 . . . . 0.0 111.286 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 65.41 14.31 9.37 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.856 1.262 . . . . 0.0 113.919 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.69 -34.99 67.95 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.931 -1.105 . . . . 0.0 108.321 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.51 -39.82 2.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.308 1.843 . . . . 0.0 112.019 173.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 86.1 m -49.74 -32.31 13.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.267 1.027 . . . . 0.0 112.423 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -47.53 -36.65 10.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.512 0.597 . . . . 0.0 111.38 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.35 -46.41 4.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.744 1.218 . . . . 0.0 109.723 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -76.31 -3.74 38.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -44.46 -47.14 9.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.444 1.475 . . . . 0.0 111.654 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.39 -56.86 14.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.834 0.454 . . . . 0.0 109.88 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.73 -48.1 82.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.375 1.07 . . . . 0.0 110.812 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -55.59 -51.3 67.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.649 0.78 . . . . 0.0 109.767 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -60.69 -42.71 97.7 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -32.43 30.38 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -26.9 68.55 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.018 -0.426 . . . . 0.0 110.297 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.57 -31.0 35.89 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 123.505 0.574 . . . . 0.0 113.041 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.61 -20.74 53.43 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.242 1.021 . . . . 0.0 111.539 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.974 -1.488 . . . . 0.0 110.272 179.321 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -82.53 62.16 6.04 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 57.2 mt 48.44 32.91 3.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 111.862 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 58.24 14.56 2.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.718 1.207 . . . . 0.0 113.439 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -54.61 -53.55 53.21 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.584 1.084 . . . . 0.0 112.9 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 42.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.885 0.874 . . . . 0.0 111.379 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.01 26.7 1.43 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.27 1.828 . . . . 0.0 113.672 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -84.15 61.37 6.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.529 -0.732 . . . . 0.0 110.436 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.87 55.34 0.88 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.177 0.991 . . . . 0.0 111.223 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 127.416 2.287 . . . . 0.0 112.592 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -44.31 -62.18 1.25 Allowed 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 126.065 1.746 . . . . 0.0 112.497 -169.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -21.03 61.65 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -105.46 -28.66 10.7 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.614 0.765 . . . . 0.0 112.391 -170.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -43.9 -43.67 6.57 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.21 -44.15 80.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.866 0.757 . . . . 0.0 109.942 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -57.82 -50.67 72.49 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -53.81 -47.4 70.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.159 0.984 . . . . 0.0 109.965 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.33 -51.26 70.26 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -65.65 -36.49 83.84 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.845 -0.534 . . . . 0.0 111.52 -177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.36 -36.63 84.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.394 0.678 . . . . 0.0 109.624 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.31 -30.47 11.59 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.187 1.375 . . . . 0.0 114.01 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.04 -26.04 68.38 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.689 1.245 . . . . 0.0 112.221 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.198 -1.382 . . . . 0.0 110.305 -178.287 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.09 -37.32 76.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.33 -60.35 2.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.139 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -85.26 70.67 10.87 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.452 0.644 . . . . 0.0 109.276 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 116.668 -1.635 . . . . 0.0 111.675 177.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.86 -35.06 70.41 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -74.84 -73.22 0.25 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -88.24 73.14 8.95 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.436 -0.79 . . . . 0.0 109.626 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.761 -1.114 . . . . 0.0 111.269 178.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -126.89 20.56 7.01 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.244 1.017 . . . . 0.0 110.826 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.93 90.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 57.07 42.07 26.44 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.479 1.112 . . . . 0.0 110.074 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 28.39 -104.81 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.45 1.9 . . . . 0.0 113.514 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p 55.54 -79.94 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.864 2.065 . . . . 0.0 113.926 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.63 -66.41 0.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.111 1.764 . . . . 0.0 109.185 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 34.67 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 128.999 2.92 . . . . 0.0 115.282 -172.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.85 90.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 52.3 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -51.4 -44.99 62.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.514 1.126 . . . . 0.0 112.076 -169.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.44 -31.57 45.96 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -175.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -11.27 59.79 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -176.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -47.53 -48.23 27.58 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.216 0.916 . . . . 0.0 111.104 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -15.96 50.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.165 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -97.01 -41.64 8.28 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -44.86 -50.89 10.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.743 0.817 . . . . 0.0 112.676 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.43 -23.58 57.86 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -60.77 -40.19 91.59 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 119.134 0.879 . . . . 0.0 110.449 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -51.91 67.97 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 175.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -59.16 -39.9 83.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.86 -36.75 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 122.127 -0.358 . . . . 0.0 110.948 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 tp -71.69 -39.09 70.43 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.719 -0.613 . . . . 0.0 110.881 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.28 65.25 0.41 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 126.449 1.976 . . . . 0.0 108.416 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -64.46 0.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.282 1.433 . . . . 0.0 109.166 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.428 -1.272 . . . . 0.0 109.055 173.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? 64.97 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.195 1.798 . . . . 0.0 111.939 -176.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -51.49 117.58 2.74 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 66.52 2.34 2.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.706 1.602 . . . . 0.0 114.133 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -61.86 1.53 Allowed 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m 49.11 -94.71 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.779 2.032 . . . . 0.0 111.889 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.5 56.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.994 0.918 . . . . 0.0 112.005 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -73.15 60.11 0.56 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.107 0.963 . . . . 0.0 110.047 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.64 47.7 1.5 Allowed 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.062 0.945 . . . . 0.0 109.137 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -83.22 57.56 4.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -49.03 -37.31 20.36 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.86 1.264 . . . . 0.0 112.614 -169.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -44.6 -34.88 2.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.357 1.063 . . . . 0.0 112.822 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -51.05 -35.37 34.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.662 0.785 . . . . 0.0 111.686 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -44.73 -45.35 9.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.09 -53.0 62.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.714 0.405 . . . . 0.0 110.155 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -55.22 -49.06 72.93 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.994 0.918 . . . . 0.0 109.861 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -49.36 66.26 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.521 1.128 . . . . 0.0 109.411 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 45.4 m -60.3 -48.26 82.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.011 0.524 . . . . 0.0 109.671 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -63.3 -37.47 87.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.531 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 tt -72.98 -39.12 66.38 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.735 -0.603 . . . . 0.0 110.421 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.5 60.25 0.36 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.974 -1.651 . . . . 0.0 108.974 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.35 13.31 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.781 2.032 . . . . 0.0 115.72 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.192 -177.069 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.75 -36.79 74.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.78 -69.77 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.461 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -123.6 89.61 3.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.481 1.512 . . . . 0.0 109.887 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.131 -1.414 . . . . 0.0 111.652 173.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -58.8 -36.32 74.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.19 -61.86 1.8 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -80.39 70.86 7.15 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.327 -1.32 . . . . 0.0 110.029 -172.618 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.687 0.28 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.77 63.99 2.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.905 0.482 . . . . 0.0 109.839 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -77.43 60.73 2.11 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 109.721 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 68.29 -63.71 0.32 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.289 2.236 . . . . 0.0 110.83 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.279 15.8 ptp180 58.44 -56.46 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.268 3.027 . . . . 0.0 115.995 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -73.1 64.64 0.75 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.175 1.79 . . . . 0.0 112.321 -170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.66 -31.72 38.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.762 1.225 . . . . 0.0 113.131 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -61.74 -18.92 61.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.325 1.05 . . . . 0.0 113.34 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 126.9 8.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.109 0.964 . . . . 0.0 111.302 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . 0.271 2.6 mmp_? 66.03 -38.85 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.952 2.101 . . . . 0.0 115.4 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -52.35 -42.03 63.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.623 1.101 . . . . 0.0 109.658 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.11 -39.0 5.54 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.484 1.113 . . . . 0.0 113.005 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -96.3 -2.07 46.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.508 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -48.56 -46.45 39.03 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.693 1.133 . . . . 0.0 111.68 -171.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -42.18 90.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.941 0.497 . . . . 0.0 110.036 -176.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.04 -20.58 34.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -52.64 -31.04 34.79 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.007 0.821 . . . . 0.0 110.961 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.06 -17.47 2.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.263 1.025 . . . . 0.0 112.793 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -51.67 -30.8 23.26 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.182 0.901 . . . . 0.0 111.357 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.43 -51.98 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.326 0.651 . . . . 0.0 109.271 170.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 77.8 m -77.69 -26.39 50.19 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.342 0.657 . . . . 0.0 111.538 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -37.25 80.02 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 171.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mp -77.29 -40.57 43.98 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.244 0.475 . . . . 0.0 109.962 171.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.47 57.23 0.43 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.397 0.998 . . . . 0.0 111.623 -171.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.18 -49.76 60.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.072 0.949 . . . . 0.0 109.986 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.213 1.405 . . . . 0.0 111.274 175.418 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -76.97 45.22 0.42 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.476 0.71 . . . . 0.0 112.437 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 62.8 tp -71.76 127.0 31.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 170.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.2 62.87 0.69 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.659 1.184 . . . . 0.0 111.589 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -87.86 -43.56 11.72 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.032 1.333 . . . . 0.0 109.888 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -42.62 118.26 1.19 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.386 1.874 . . . . 0.0 111.429 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.58 -59.27 0.5 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.908 1.683 . . . . 0.0 112.121 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -52.1 -36.53 51.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.002 0.921 . . . . 0.0 113.009 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.35 70.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.174 0.59 . . . . 0.0 112.027 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -76.56 72.35 3.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -43.65 -43.13 5.63 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.51 . . . . 0.0 113.58 -169.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.42 -34.56 7.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m -43.61 -42.14 4.99 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.559 1.143 . . . . 0.0 111.714 173.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -41.36 -50.76 3.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.21 -38.91 84.8 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.355 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -65.03 -51.6 60.69 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -54.66 -48.16 72.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.707 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -60.73 -52.74 63.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.657 0.383 . . . . 0.0 110.12 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -62.24 -37.15 84.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.492 0.317 . . . . 0.0 111.606 -174.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.06 -40.15 68.51 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.21 -27.09 38.15 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.371 1.462 . . . . 0.0 113.333 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.76 -20.75 63.9 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.161 0.981 . . . . 0.0 112.51 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.329 172.612 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -109.84 -36.61 5.86 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -66.85 -61.02 2.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -82.53 70.82 9.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.447 -1.263 . . . . 0.0 109.341 177.033 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.6 -10.27 2.16 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.91 -39.82 75.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.326 1.421 . . . . 0.0 108.737 168.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -78.08 71.02 4.53 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.634 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -75.59 69.22 2.3 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 mt 64.92 -167.18 0.22 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.353 1.061 . . . . 0.0 110.253 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.09 -69.23 0.18 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.188 1.395 . . . . 0.0 108.579 -169.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 45.56 59.5 3.58 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 111.865 170.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -32.35 2.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.26 1.824 . . . . 0.0 114.548 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.98 27.18 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.283 1.033 . . . . 0.0 113.518 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 111.78 0.32 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 111.905 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.12 -70.56 0.09 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.292 1.837 . . . . 0.0 111.718 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 67.97 -54.86 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.596 2.358 . . . . 0.0 114.973 171.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -44.5 -35.82 2.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.104 1.762 . . . . 0.0 113.62 -170.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.73 -41.26 4.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.575 1.15 . . . . 0.0 111.999 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -45.29 -40.59 7.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.955 1.302 . . . . 0.0 111.463 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -56.86 -23.65 45.82 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -107.48 -49.84 3.18 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.834 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.73 -12.59 4.42 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttm105 -44.4 -34.38 1.99 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.412 1.085 . . . . 0.0 110.488 168.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -44.68 37.21 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.578 0.626 . . . . 0.0 112.308 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -65.37 -50.45 65.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -55.43 -42.49 74.24 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.1 m -61.03 -57.49 12.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.987 0.515 . . . . 0.0 109.713 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -62.33 -38.32 89.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.087 0.403 . . . . 0.0 110.876 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.31 -35.0 78.92 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.434 0.694 . . . . 0.0 109.638 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.48 -25.78 9.11 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.498 1.047 . . . . 0.0 113.808 172.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.6 -24.77 63.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.879 1.339 . . . . 0.0 111.599 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.502 -1.714 . . . . 0.0 111.78 176.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 tttp . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -84.05 63.67 7.75 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.37 -33.05 71.9 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 58.12 0.41 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.422 1.089 . . . . 0.0 110.199 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.2 -33.93 65.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.983 0.913 . . . . 0.0 112.422 -170.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m 70.88 -57.01 0.61 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.044 1.738 . . . . 0.0 113.654 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.92 64.21 0.98 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.941 1.296 . . . . 0.0 112.059 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -79.09 6.08 10.38 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.281 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 75.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.136 1.374 . . . . 0.0 112.279 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -88.35 177.98 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -43.48 -45.3 6.37 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -169.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -41.9 12.8 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.536 0.735 . . . . 0.0 111.688 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -22.5 66.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -48.66 -42.55 34.91 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.91 -42.41 94.75 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.098 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -55.8 -55.44 32.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.913 0.485 . . . . 0.0 110.367 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -64.24 -32.36 73.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.846 179.397 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 86.8 m -60.65 -52.82 63.53 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.395 173.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -63.51 -35.94 82.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.55 1.068 . . . . 0.0 110.852 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.52 -39.32 94.12 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.826 0.284 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.11 44.13 1.56 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.32 -48.27 70.86 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 117.871 0.835 . . . . 0.0 111.147 -171.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 116.525 -1.702 . . . . 0.0 107.578 178.481 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.88 -38.82 83.3 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.17 -58.37 3.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 110.724 -173.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.12 73.04 6.95 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.081 -1.437 . . . . 0.0 111.766 -173.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -90.55 -36.48 14.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.75 -49.28 0.96 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -123.24 72.59 1.12 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.416 1.086 . . . . 0.0 110.371 -169.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 127.795 2.438 . . . . 0.0 114.263 -173.709 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.407 0.146 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 141.61 57.87 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp 73.74 -47.18 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.995 1.718 . . . . 0.0 112.295 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -71.74 62.14 0.4 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.132 1.373 . . . . 0.0 110.897 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 54.47 2.45 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.472 1.109 . . . . 0.0 109.352 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -78.21 56.04 1.61 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.725 1.21 . . . . 0.0 111.562 -170.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 63.55 2.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.099 0.959 . . . . 0.0 109.738 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -75.95 62.35 1.6 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.115 0.966 . . . . 0.0 110.807 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.46 120.33 9.72 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 172.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -81.82 54.89 2.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.93 0.492 . . . . 0.0 109.909 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.66 51.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.364 1.066 . . . . 0.0 112.835 -171.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -48.11 -29.33 3.51 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.876 1.271 . . . . 0.0 112.974 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -42.01 -37.01 1.25 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.58 1.152 . . . . 0.0 112.015 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.21 -40.12 15.49 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.494 0.718 . . . . 0.0 111.584 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -104.88 -47.26 4.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.449 0.7 . . . . 0.0 111.537 170.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.2 -20.47 62.82 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -47.03 -41.5 16.7 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.211 0.914 . . . . 0.0 110.634 169.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.27 -46.73 85.49 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -58.79 -49.1 78.94 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.68 -44.46 90.24 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.072 -0.392 . . . . 0.0 110.651 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 99.3 m -59.59 -38.87 82.36 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.961 0.504 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -31.99 14.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.048 0.539 . . . . 0.0 111.455 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.24 -35.93 78.6 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.756 -0.59 . . . . 0.0 109.891 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.59 -19.14 57.71 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.724 -0.487 . . . . 0.0 113.124 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.95 -17.95 54.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.401 1.1 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.036 -1.459 . . . . 0.0 109.164 169.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.043 -0.027 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.19 129.92 32.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 48.0 tp 67.34 -58.77 0.41 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.158 1.783 . . . . 0.0 111.778 -171.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -42.64 -43.87 4.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.155 1.782 . . . . 0.0 112.34 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -44.27 -32.02 1.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.703 1.601 . . . . 0.0 113.673 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 12.3 m -57.29 -30.39 64.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.475 0.71 . . . . 0.0 112.177 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 70.66 -34.06 0.28 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.303 1.841 . . . . 0.0 114.199 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -147.19 171.46 15.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.181 1.392 . . . . 0.0 109.192 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.36 147.45 47.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.547 1.539 . . . . 0.0 107.704 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 59.58 0.96 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.925 0.89 . . . . 0.0 109.494 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.09 -36.57 51.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.092 0.957 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.02 -2.49 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.777 1.231 . . . . 0.0 114.052 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p -115.33 -2.42 12.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 120.146 1.339 . . . . 0.0 113.321 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -56.55 -33.56 66.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.72 -38.38 78.2 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.96 -0.462 . . . . 0.0 111.722 171.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -69.42 -44.42 71.39 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.845 -1.159 . . . . 0.0 109.238 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -53.77 -43.07 68.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.584 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -60.43 -51.88 67.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.472 0.709 . . . . 0.0 110.059 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.01 -35.56 73.46 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.93 -24.17 66.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.632 -0.667 . . . . 0.0 110.99 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.78 -17.97 0.95 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.402 1.477 . . . . 0.0 113.958 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 60.9 tp -47.29 -46.71 25.2 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.377 1.588 . . . . 0.0 110.259 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.901 -1.523 . . . . 0.0 112.279 -177.453 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.408 ' HG ' ' CE1' ' B' ' 42' ' ' HIS . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.8 -36.56 84.7 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.07 71.36 3.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -67.71 80.48 0.19 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.252 1.021 . . . . 0.0 111.26 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.409 1.483 . . . . 0.0 109.807 176.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.408 ' CE1' ' HG ' ' A' ' 1' ' ' SER . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.34 -18.2 36.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -49.84 -36.28 26.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.171 0.896 . . . . 0.0 109.808 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -123.44 72.41 1.12 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.67 -1.633 . . . . 0.0 111.593 176.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.407 0.146 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.97 -42.42 84.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.659 0.384 . . . . 0.0 111.06 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 73.9 mt 47.81 56.22 7.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.503 1.121 . . . . 0.0 111.767 171.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.85 -50.19 0.69 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.869 1.668 . . . . 0.0 113.289 174.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.273 16.0 ptp180 -6.79 -69.09 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.845 2.858 . . . . 0.0 116.428 -169.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -41.19 95.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.485 1.114 . . . . 0.0 111.895 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.47 71.8 2.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.776 1.23 . . . . 0.0 110.405 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.1 168.81 18.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.427 1.091 . . . . 0.0 108.733 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.28 104.15 14.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.7 116.94 5.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -44.48 -43.49 7.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.236 1.014 . . . . 0.0 113.05 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -45.28 -38.03 5.25 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 8.6 m -50.71 -40.59 54.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.665 0.786 . . . . 0.0 110.498 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.27 -48.35 68.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.486 0.714 . . . . 0.0 110.543 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -75.13 -50.07 17.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt -58.48 -24.06 59.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp-105 -44.93 -39.49 5.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.538 1.135 . . . . 0.0 111.148 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.2 -40.78 74.4 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.72 -0.612 . . . . 0.0 110.622 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.55 -51.89 67.62 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -52.25 -47.02 65.99 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.55 0.34 . . . . 0.0 110.478 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 81.7 m -60.52 -50.4 73.72 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.83 -34.97 75.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.298 -0.876 . . . . 0.0 110.924 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.59 5.45 3.86 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.53 60.26 0.27 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.868 -2.093 . . . . 0.0 107.868 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.85 -32.7 74.53 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.145 -1.407 . . . . 0.0 110.442 178.09 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -74.06 78.04 1.72 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.633 0.73 . . . . 0.0 109.095 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt 47.75 -109.35 0.28 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 111.139 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -65.32 -17.07 64.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.973 0.909 . . . . 0.0 112.547 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -31.49 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.76 -0.587 . . . . 0.0 110.269 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -72.44 69.85 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.885 1.274 . . . . 0.0 112.294 -173.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.17 41.41 23.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.714 1.205 . . . . 0.0 113.939 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -84.32 -152.64 0.14 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 133.47 56.12 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.493 -1.379 . . . . 0.0 107.613 169.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -82.41 60.04 4.89 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.43 -49.62 7.09 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.878 1.671 . . . . 0.0 112.193 -172.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -48.87 -36.3 16.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.767 1.227 . . . . 0.0 112.738 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p -94.91 -9.53 33.88 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -49.38 -48.66 46.73 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -49.66 -40.98 41.68 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.46 -25.36 64.96 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.745 0.818 . . . . 0.0 111.302 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -86.28 -43.29 13.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 109.186 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.5 m -60.18 -31.79 70.46 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.935 0.894 . . . . 0.0 110.318 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -48.67 -35.99 15.05 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.279 1.031 . . . . 0.0 111.561 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.64 -23.13 67.16 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.264 -0.898 . . . . 0.0 110.879 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.31 48.1 0.97 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 169.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -21.01 63.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.791 0.796 . . . . 0.0 112.944 173.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.971 1.709 . . . . 0.0 111.442 -174.452 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -58.72 -35.3 72.47 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.33 -57.68 4.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.279 0.632 . . . . 0.0 109.961 169.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.04 71.08 4.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.402 0.681 . . . . 0.0 110.023 -171.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.531 171.635 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -58.42 -20.26 43.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.71 -35.05 13.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.868 0.758 . . . . 0.0 110.255 169.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -122.39 69.72 0.97 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.723 -1.608 . . . . 0.0 111.766 175.459 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.788 -0.078 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -129.67 47.57 2.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.06 0.944 . . . . 0.0 109.121 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.86 80.4 3.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.84 0.456 . . . . 0.0 110.409 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 78.42 -59.86 0.41 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.607 1.563 . . . . 0.0 110.828 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -48.71 -25.91 2.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.46 2.304 . . . . 0.0 114.545 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -58.58 75.25 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.937 1.695 . . . . 0.0 113.732 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.68 -115.11 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -123.41 26.8 7.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.149 0.58 . . . . 0.0 110.905 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.92 89.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 53.94 39.91 31.0 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.625 1.17 . . . . 0.0 110.486 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.82 -42.53 5.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.396 1.878 . . . . 0.0 113.721 -169.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.25 -37.59 36.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 54.5 p -77.72 -13.59 59.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.511 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -48.27 -46.26 35.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.533 1.133 . . . . 0.0 111.323 -172.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -54.88 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.926 0.89 . . . . 0.0 109.226 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.66 -34.22 64.79 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 42.6 ttp-105 -47.28 -45.21 23.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.716 0.806 . . . . 0.0 110.73 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.15 -39.86 95.89 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.618 0.645 . . . . 0.0 110.151 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -53.57 47.37 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -54.61 -40.93 69.37 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.816 -0.553 . . . . 0.0 111.455 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -60.5 -24.11 65.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.714 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmt-85 -50.87 -31.02 16.11 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.298 1.408 . . . . 0.0 113.053 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.91 -37.47 87.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.187 0.449 . . . . 0.0 111.361 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.91 -19.37 11.97 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.659 1.123 . . . . 0.0 112.869 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 50.0 tp -39.36 -46.12 1.56 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.4 2.28 . . . . 0.0 111.45 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--O 1.254 1.301 0 CA-C-O 116.763 -1.589 . . . . 0.0 107.316 168.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.615 0.245 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -167.77 170.36 10.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt 62.78 -175.9 0.14 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.224 1.01 . . . . 0.0 110.868 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 69.44 -60.69 0.46 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.605 1.962 . . . . 0.0 110.053 -170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 63.39 -73.13 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.458 2.303 . . . . 0.0 112.009 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -41.23 -65.31 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.13 2.172 . . . . 0.0 111.674 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.51 76.5 0.27 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.163 0.985 . . . . 0.0 109.372 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -74.95 54.13 0.63 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.282 1.433 . . . . 0.0 112.209 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -33.74 73.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 109.146 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.14 66.39 0.16 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.012 1.725 . . . . 0.0 107.645 169.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.34 -40.51 68.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -44.92 -47.72 11.27 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.851 0.751 . . . . 0.0 111.153 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -72.09 -22.71 61.31 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.514 1.126 . . . . 0.0 112.085 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -45.56 -46.98 14.49 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.42 -49.25 69.89 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 119.003 0.82 . . . . 0.0 110.41 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -52.28 -51.77 56.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -57.67 -44.91 86.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.494 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 91.2 m -60.6 -46.84 88.73 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.648 0.658 . . . . 0.0 109.999 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -65.14 -37.59 87.92 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.925 -0.484 . . . . 0.0 111.277 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.35 -38.09 89.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.174 0.512 . . . . 0.0 110.311 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.44 -19.7 34.61 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 126.051 1.786 . . . . 0.0 113.592 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.99 -30.95 66.47 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.37 1.085 . . . . 0.0 111.298 173.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.04 -1.457 . . . . 0.0 110.071 175.093 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 HG23 ' B' ' 81' ' ' THR . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 7' ' ' VAL . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 118.484 -0.769 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.456 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' H ' ' CD ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.402 HG22 ' CE2' ' B' ' 70' ' ' PHE . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.574 HG21 HD11 ' B' ' 47' ' ' ILE . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.574 HD11 HG21 ' B' ' 36' ' ' ILE . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.406 HG12 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 81' ' ' THR . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.439 -0.989 0 CA-C-O 117.87 -1.062 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.62 HG13 HG23 ' B' ' 81' ' ' THR . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD21 HD11 ' B' ' 3' ' ' LEU . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' B' ' 81' ' ' THR . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 35' ' ' LEU . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HB2' HG21 ' B' ' 53' ' ' VAL . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.448 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' B' ' 33' ' ' LYS . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 7' ' ' VAL . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 118.922 -0.561 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG23 ' A' ' 53' ' ' VAL 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' VAL . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.617 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 50' ' ' GLN . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 HG13 ' B' ' 7' ' ' VAL . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.499 HG13 HG23 ' A' ' 81' ' ' THR . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 119.007 -0.521 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 47' ' ' ILE . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.407 HD11 ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' B' ' 53' ' ' VAL . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.451 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' B' ' 33' ' ' LYS . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.136 0.493 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? . . . . . 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' B' ' 7' ' ' VAL . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.595 HG22 HG13 ' B' ' 7' ' ' VAL . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' THR . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 119.15 -0.452 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 . . . . . 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 HG13 ' B' ' 7' ' ' VAL . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 81' ' ' THR . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.412 HG23 ' CZ ' ' D' ' 76' ' ' PHE . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' PHE . . . . . 0.412 ' CZ ' HG23 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 . . . . . 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' B' ' 43' ' ' PHE . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' A' ' 7' ' ' VAL . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.425 0.631 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.454 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 121.207 0.527 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 119.341 -0.362 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.434 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 81' ' ' THR . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.462 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.509 HG23 HG13 ' A' ' 7' ' ' VAL . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.366 0.603 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD22 HD23 ' B' ' 10' ' ' LEU . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 3' ' ' LEU . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.435 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 118.979 -0.534 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 HD23 ' B' ' 10' ' ' LEU . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.406 HD23 HD22 ' A' ' 3' ' ' LEU . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.479 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 53' ' ' VAL . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.462 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 53' ' ' VAL . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' B' ' 33' ' ' LYS . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' B' ' 47' ' ' ILE . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' B' ' 36' ' ' ILE . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.637 -0.696 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 HG23 ' B' ' 81' ' ' THR . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.18 -23.99 62.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -50.82 -37.57 43.57 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.978 0.808 . . . . 0.0 110.999 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -122.75 73.42 1.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.779 1.232 . . . . 0.0 109.079 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.39 -1.291 . . . . 0.0 111.669 173.456 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 7' ' ' VAL . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.73 -36.27 75.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.99 -59.98 2.48 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -82.33 70.59 9.3 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.972 -179.144 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.709 0.29 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 74.08 3.95 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.24 164.24 26.07 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.236 0.615 . . . . 0.0 109.951 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.05 51.95 1.22 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.533 0.733 . . . . 0.0 109.809 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -77.37 -21.58 53.04 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.744 0.818 . . . . 0.0 111.631 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -75.54 65.97 1.84 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.228 1.011 . . . . 0.0 112.385 -172.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.52 41.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.109 0.964 . . . . 0.0 111.014 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -70.45 47.6 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.814 1.646 . . . . 0.0 112.189 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.74 170.24 16.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.29 1.036 . . . . 0.0 110.028 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -78.51 60.02 2.55 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.487 0.715 . . . . 0.0 111.292 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -50.4 -31.09 13.94 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.143 1.377 . . . . 0.0 110.63 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.36 -42.85 3.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.353 1.461 . . . . 0.0 111.596 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -47.23 -39.06 13.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.16 0.984 . . . . 0.0 112.067 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -48.35 -36.69 14.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.42 1.088 . . . . 0.0 111.634 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.34 -48.06 3.79 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 109.202 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.64 -20.82 61.81 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -43.63 -45.16 6.72 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.325 0.966 . . . . 0.0 110.923 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.2 -42.77 99.36 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.12 -0.362 . . . . 0.0 110.058 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.15 -48.62 80.95 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -55.85 -43.37 76.99 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -60.05 -48.05 83.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -65.25 -36.67 84.84 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.837 -0.54 . . . . 0.0 111.745 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.66 -37.49 87.52 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.74 -40.93 4.17 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.628 1.585 . . . . 0.0 114.341 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -35.43 80.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.2 1.0 . . . . 0.0 111.563 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.468 -1.73 . . . . 0.0 111.464 -176.58 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -141.67 162.65 34.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 60.7 tp -153.48 160.1 42.46 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.49 88.53 0.92 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 66' ' ' ARG . . . . . 0.477 ' NE ' ' H ' ' D' ' 66' ' ' ARG . 0.1 OUTLIER -58.33 177.69 0.12 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.517 1.927 . . . . 0.0 112.771 -177.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -74.12 51.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.073 1.749 . . . . 0.0 113.895 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.81 71.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -79.14 46.73 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.921 0.888 . . . . 0.0 111.314 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.8 -66.39 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.411 1.884 . . . . 0.0 112.487 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 73.8 -65.17 0.36 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.575 1.95 . . . . 0.0 110.836 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -52.99 -47.85 67.92 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.237 1.815 . . . . 0.0 112.346 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -68.72 -55.03 12.67 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.753 0.787 . . . . 0.0 109.59 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.4 -39.42 72.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 112.716 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -45.29 22.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 79' ' ' LEU . . . . . 0.405 HD12 ' N ' ' D' ' 80' ' ' LYS . 0.7 OUTLIER -67.61 -30.3 69.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.623 -0.673 . . . . 0.0 112.515 177.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 80' ' ' LYS . . . . . 0.405 ' N ' HD12 ' D' ' 79' ' ' LEU . 24.0 tptm -67.81 -48.39 66.39 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -53.1 -44.87 67.94 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -60.94 -46.88 88.9 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.332 -0.23 . . . . 0.0 111.048 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.91 -36.44 81.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.821 -0.549 . . . . 0.0 111.583 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.27 -40.46 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.676 0.671 . . . . 0.0 109.949 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.73 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 124.668 1.127 . . . . 0.0 111.765 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.24 -21.62 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.029 0.414 . . . . 0.0 111.772 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.139 0.976 . . . . 0.0 110.88 -176.768 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -90.23 -37.16 14.31 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.98 -63.74 1.26 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.74 73.6 2.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.25 1.095 0 C-N-CA 125.164 1.386 . . . . 0.0 109.288 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.0 -26.71 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -56.05 -37.44 69.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.673 0.67 . . . . 0.0 110.053 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -124.06 72.18 1.16 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.383 1.473 . . . . 0.0 113.174 -177.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.29 0.09 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 108.87 10.79 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.455 1.102 . . . . 0.0 108.825 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -50.59 135.67 22.57 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.486 1.114 . . . . 0.0 110.729 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 66.83 -60.25 0.35 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.449 1.9 . . . . 0.0 112.03 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -51.24 -42.56 61.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.987 0.915 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -58.38 -35.14 71.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.629 -0.67 . . . . 0.0 112.003 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.55 -44.62 42.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.422 0.689 . . . . 0.0 109.465 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.2 -27.95 66.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.007 0.523 . . . . 0.0 111.07 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.48 -7.13 54.47 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.96 0.904 . . . . 0.0 112.773 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -76.33 68.09 2.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.905 1.23 . . . . 0.0 110.615 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -44.36 -48.93 9.75 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.95 2.1 . . . . 0.0 111.784 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -43.93 -31.14 0.81 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.004 1.722 . . . . 0.0 113.359 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 p -120.37 10.51 11.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.274 1.83 . . . . 0.0 112.639 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.96 -30.26 70.34 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 120.528 -1.358 . . . . 0.0 112.223 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.68 -36.79 65.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.821 -0.549 . . . . 0.0 110.312 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.78 -1.42 57.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 120.108 1.322 . . . . 0.0 109.833 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.95 -56.23 24.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.617 0.767 . . . . 0.0 109.323 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.3 -49.59 63.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.345 0.658 . . . . 0.0 110.741 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -54.56 -46.75 73.72 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.0 0.92 . . . . 0.0 110.289 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -62.04 -46.86 87.31 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.777 -0.577 . . . . 0.0 110.679 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -59.95 -37.91 80.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.65 -38.75 84.25 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.799 -0.563 . . . . 0.0 110.478 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.45 79.61 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.616 0.627 . . . . 0.0 112.186 173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tt -41.1 -58.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.975 1.71 . . . . 0.0 111.79 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.888 -1.529 . . . . 0.0 109.441 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.529 0.204 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 63.47 -75.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.124 1.77 . . . . 0.0 113.051 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.27 -36.98 64.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.781 1.232 . . . . 0.0 109.972 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -36.5 -39.56 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.05 2.14 . . . . 0.0 113.165 172.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -47.54 -39.64 16.9 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.31 0.644 . . . . 0.0 111.666 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -58.58 -36.49 74.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.439 1.096 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.65 -34.67 17.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.244 0.618 . . . . 0.0 110.528 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 126.57 0.8 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.132 0.973 . . . . 0.0 109.412 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.33 3.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -79.3 39.58 0.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.28 -41.89 89.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.642 -0.661 . . . . 0.0 110.097 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -19.07 34.73 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -89.61 -15.55 32.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.816 0.735 . . . . 0.0 111.07 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -45.4 -44.24 11.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -58.84 -42.86 90.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.639 0.775 . . . . 0.0 111.593 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.27 -50.91 71.11 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -53.13 -44.86 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m -60.51 -54.39 46.08 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.066 0.546 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -59.94 -36.47 77.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.045 -0.41 . . . . 0.0 111.656 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.25 -39.23 75.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.52 -38.31 62.81 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.46 -6.41 30.23 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.934 -1.508 . . . . 0.0 112.477 -172.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -55.9 -24.35 36.86 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.99 -44.62 70.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.223 0.465 . . . . 0.0 110.094 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -77.56 71.45 4.04 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.314 -1.327 . . . . 0.0 110.227 -174.746 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.456 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.413 ' H ' ' CD ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -57.28 -36.62 71.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -78.97 72.53 5.49 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 168.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -61.49 80.59 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.941 1.296 . . . . 0.0 114.024 -169.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.432 1.893 . . . . 0.0 111.857 169.766 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -73.75 75.45 1.57 Allowed 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 mt 64.81 -159.29 0.29 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -168.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 64.7 -72.37 0.07 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.649 1.58 . . . . 0.0 110.827 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 30.66 47.36 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.621 2.768 . . . . 0.0 113.55 170.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -81.02 61.61 4.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -169.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 170.65 19.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.67 1.188 . . . . 0.0 108.638 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -133.5 165.46 24.83 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.86 63.48 1.19 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.568 0.747 . . . . 0.0 110.231 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -60.6 -52.32 65.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.797 0.439 . . . . 0.0 110.447 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -53.32 -32.97 51.55 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.025 0.83 . . . . 0.0 111.917 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.22 -10.0 59.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.603 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -130.25 -9.06 4.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.089 0.859 . . . . 0.0 113.315 -175.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -48.36 -49.48 34.3 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.164 1.385 . . . . 0.0 112.227 -169.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -32.0 66.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.047 1.339 . . . . 0.0 112.238 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt -93.98 1.57 56.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.95 -40.08 66.49 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.908 0.776 . . . . 0.0 111.388 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.3 -46.9 69.56 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.885 0.766 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.23 -35.04 63.85 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.537 1.135 . . . . 0.0 109.912 -172.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -63.31 -53.77 47.58 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -40.05 92.64 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.438 0.695 . . . . 0.0 110.372 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -29.99 9.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.668 1.187 . . . . 0.0 112.381 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.35 -27.24 68.37 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.22 0.918 . . . . 0.0 110.475 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.88 -31.41 31.69 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.022 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -1.25 57.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.428 1.114 . . . . 0.0 112.009 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.969 178.58 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.4 79.95 3.9 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -84.17 173.13 11.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -78.17 59.47 2.25 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.585 -0.697 . . . . 0.0 110.642 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -77.38 42.09 0.33 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.141 1.376 . . . . 0.0 111.62 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 42.7 m -157.91 33.4 0.26 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.867 1.667 . . . . 0.0 108.965 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 174.03 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.094 0.558 . . . . 0.0 111.045 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -48.65 -46.77 40.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.211 1.004 . . . . 0.0 111.129 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.0 47.81 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.522 1.129 . . . . 0.0 113.143 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -86.75 -52.13 5.69 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.027 0.931 . . . . 0.0 108.745 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -48.21 -33.25 8.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.929 0.892 . . . . 0.0 111.81 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.56 -41.09 1.39 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.328 1.451 . . . . 0.0 111.672 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -52.1 -34.84 45.83 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -51.14 -36.04 38.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.04 -46.41 81.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.043 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -52.33 -53.22 47.27 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.068 0.849 . . . . 0.0 109.882 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.72 -41.46 70.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.397 0.279 . . . . 0.0 110.426 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -60.9 -55.21 35.72 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.085 0.402 . . . . 0.0 110.613 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -64.97 -36.01 83.02 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.878 0.763 . . . . 0.0 112.335 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.22 -39.36 92.66 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.728 -0.608 . . . . 0.0 109.786 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.87 -28.98 49.54 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.423 1.487 . . . . 0.0 112.983 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.7 -37.35 83.8 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.946 0.873 . . . . 0.0 110.792 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 117.569 -1.205 . . . . 0.0 111.419 -172.258 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.402 HG22 ' CE2' ' B' ' 70' ' ' PHE . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.48 -24.36 55.37 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -45.09 -38.07 4.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.159 0.436 . . . . 0.0 111.451 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -122.65 73.54 1.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.059 1.344 . . . . 0.0 108.518 170.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.897 172.069 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.574 HG21 HD11 ' B' ' 47' ' ' ILE . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.574 HD11 HG21 ' B' ' 36' ' ' ILE . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.406 HG12 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 81' ' ' THR . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.34 -33.76 71.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -47.1 -50.32 20.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.179 0.592 . . . . 0.0 109.9 169.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -83.3 71.21 10.24 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.156 -1.402 . . . . 0.0 110.787 -178.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 120.655 0.264 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -78.14 65.08 3.44 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.311 0.644 . . . . 0.0 109.998 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp 68.23 -64.1 0.31 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 127.337 2.255 . . . . 0.0 110.411 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? 51.97 38.97 25.15 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.883 1.273 . . . . 0.0 109.572 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.55 62.07 4.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 -169.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 8.3 m -57.22 -38.52 73.88 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 64.94 0.72 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.363 1.065 . . . . 0.0 111.179 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -101.97 -171.14 1.92 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.278 1.431 . . . . 0.0 108.509 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.7 41.81 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.042 0.937 . . . . 0.0 113.29 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 64.4 -30.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.717 2.407 . . . . 0.0 117.128 170.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -50.53 -38.29 43.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -169.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.92 -19.04 65.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.595 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -124.86 -13.76 6.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.289 1.436 . . . . 0.0 113.439 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -45.58 -48.47 14.48 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.798 1.181 . . . . 0.0 114.062 -168.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -46.86 80.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 0.0 110.761 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.18 -44.65 75.42 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -52.11 -53.84 37.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.741 0.817 . . . . 0.0 110.175 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.2 mt -57.58 -46.84 83.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.519 0.328 . . . . 0.0 110.349 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -59.63 -50.14 75.02 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.935 -0.478 . . . . 0.0 111.073 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.57 -43.17 84.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.412 0.685 . . . . 0.0 110.593 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 73.2 m -60.0 -46.33 89.83 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.65 -35.95 82.21 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.057 -0.402 . . . . 0.0 111.651 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.83 -39.99 95.54 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -22.58 53.59 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.659 1.124 . . . . 0.0 114.875 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.83 -48.68 79.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.432 1.616 . . . . 0.0 111.877 -172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.956 -178.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.575 0.226 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 79.88 3.02 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.22 160.34 33.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.74 0.816 . . . . 0.0 110.089 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.3 57.04 3.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.295 1.838 . . . . 0.0 112.968 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 66' ' ' ARG . . . . . 0.409 ' H ' ' HD3' ' D' ' 66' ' ' ARG . 0.0 OUTLIER -78.89 160.76 27.15 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.38 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -45.66 -50.69 13.25 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.375 1.07 . . . . 0.0 112.769 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.01 -44.25 82.6 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.669 0.388 . . . . 0.0 111.379 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -43.83 87.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.42 0.688 . . . . 0.0 109.728 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -51.6 69.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.051 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.15 -50.78 68.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.536 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -49.69 -51.01 41.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.0 0.92 . . . . 0.0 110.89 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -63.87 0.04 0.95 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p -129.57 17.29 5.87 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 119.842 1.201 . . . . 0.0 112.899 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -53.18 -46.3 68.91 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.02 -52.0 67.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.292 0.497 . . . . 0.0 110.659 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -52.06 -54.62 27.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.494 0.717 . . . . 0.0 111.056 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -50.84 -48.63 59.88 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.82 1.648 . . . . 0.0 109.579 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 49.3 m -61.47 -49.86 75.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.302 0.501 . . . . 0.0 110.835 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -63.01 -37.71 88.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.905 -0.497 . . . . 0.0 111.124 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.93 -39.9 72.39 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 171.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.76 -18.16 44.92 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 127.321 2.391 . . . . 0.0 113.45 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -40.66 22.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.012 0.906 . . . . 0.0 108.828 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.278 -1.344 . . . . 0.0 108.346 169.41 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.62 HG13 HG23 ' B' ' 81' ' ' THR . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD21 HD11 ' B' ' 3' ' ' LEU . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' B' ' 81' ' ' THR . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -64.65 -35.0 79.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.36 -49.58 73.31 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -76.7 69.62 3.1 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.27 -175.5 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 35' ' ' LEU . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HB2' HG21 ' B' ' 53' ' ' VAL . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.448 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' B' ' 33' ' ' LYS . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 7' ' ' VAL . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -59.25 -37.46 77.63 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.42 -58.02 7.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.374 0.27 . . . . 0.0 110.331 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -82.38 71.11 9.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.775 -0.578 . . . . 0.0 109.662 -175.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 125.304 1.442 . . . . 0.0 109.218 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 62.81 3.14 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -120.12 148.17 43.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.703 1.601 . . . . 0.0 107.518 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 68.42 -67.93 0.19 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.406 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.83 -37.57 52.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.768 1.227 . . . . 0.0 110.231 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -34.96 -44.06 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.853 2.061 . . . . 0.0 112.859 170.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.32 88.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.473 0.709 . . . . 0.0 112.612 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.56 76.32 4.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 122.032 0.92 . . . . 0.0 110.261 -173.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.37 -36.53 0.35 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.759 2.024 . . . . 0.0 113.43 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -48.37 -55.57 10.42 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.925 0.89 . . . . 0.0 112.177 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.09 -46.89 85.26 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -55.42 -32.9 63.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.109 0.564 . . . . 0.0 111.143 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 36.8 m -72.75 -15.06 61.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.232 1.013 . . . . 0.0 112.426 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -46.47 -50.48 16.84 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.771 1.169 . . . . 0.0 112.493 -169.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.756 0.422 . . . . 0.0 110.335 -177.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.71 -30.4 59.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -48.25 -44.97 33.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.894 0.77 . . . . 0.0 111.015 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.25 -57.42 12.94 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.925 0.49 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -53.25 -50.09 65.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.401 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.1 -38.98 68.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.842 1.257 . . . . 0.0 111.086 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 69.2 m -61.61 -49.42 76.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.795 -0.566 . . . . 0.0 109.84 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -37.66 88.18 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.916 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.83 -36.21 83.59 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.687 -0.633 . . . . 0.0 110.42 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.49 94.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.69 -34.2 74.0 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 110.474 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 126.056 1.742 . . . . 0.0 111.943 179.473 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.96 144.75 57.08 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 32.1 mt 71.4 -58.88 0.56 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -45.57 63.93 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.324 1.049 . . . . 0.0 109.922 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? 57.5 -83.19 0.02 OUTLIER 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.818 1.647 . . . . 0.0 111.818 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 41.5 m 55.17 -80.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.771 2.029 . . . . 0.0 112.623 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.79 -34.81 79.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.128 0.571 . . . . 0.0 110.008 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.74 67.87 1.64 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.278 0.631 . . . . 0.0 109.439 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 38.08 0.12 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.252 1.421 . . . . 0.0 112.702 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.68 -59.88 0.23 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.901 2.48 . . . . 0.0 113.222 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.9 -45.42 7.57 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.634 1.573 . . . . 0.0 112.538 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -50.74 -26.94 6.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p -61.85 -21.31 64.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.118 0.872 . . . . 0.0 112.296 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -39.68 8.53 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.52 -31.97 1.27 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.189 0.996 . . . . 0.0 112.937 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -52.11 -31.79 32.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.065 0.946 . . . . 0.0 112.544 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -59.0 -29.94 67.62 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.421 1.01 . . . . 0.0 111.33 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -63.72 -43.76 95.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.731 -0.605 . . . . 0.0 109.756 172.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -66.3 -36.98 84.34 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.41 -38.74 88.14 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.45 -46.27 81.18 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.16 -62.62 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.552 0.741 . . . . 0.0 109.543 173.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 116.704 -1.617 . . . . 0.0 110.205 172.721 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG23 ' A' ' 53' ' ' VAL 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' VAL . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.617 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 50' ' ' GLN . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 HG13 ' B' ' 7' ' ' VAL . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.12 -35.66 80.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.75 -67.37 0.6 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.206 1.002 . . . . 0.0 110.21 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -85.63 70.62 10.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.003 -179.318 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.499 HG13 HG23 ' A' ' 81' ' ' THR . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.417 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.15 -31.25 65.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.07 -25.36 63.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.27 0.487 . . . . 0.0 111.903 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -104.23 73.22 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.494 1.518 . . . . 0.0 107.548 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.289 -1.339 . . . . 0.0 110.717 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.51 110.34 0.76 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.735 0.814 . . . . 0.0 109.844 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.2 mt 53.54 39.55 30.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.2 1.0 . . . . 0.0 110.681 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -67.57 0.24 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.292 1.437 . . . . 0.0 109.176 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 68.87 -54.75 0.55 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.23 1.812 . . . . 0.0 113.692 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m 73.79 -50.68 0.69 Allowed 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 126.108 1.763 . . . . 0.0 112.584 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.07 67.86 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 111.609 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -150.38 160.49 43.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.117 1.367 . . . . 0.0 109.334 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.4 -137.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 171.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -65.55 0.34 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.529 1.531 . . . . 0.0 110.366 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -50.99 -36.05 37.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -46.87 -34.58 5.52 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.37 0.668 . . . . 0.0 112.319 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.4 m -48.37 -40.86 27.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.065 0.946 . . . . 0.0 111.524 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.93 -30.28 23.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.878 0.763 . . . . 0.0 112.379 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 -48.31 3.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.799 0.84 . . . . 0.0 109.324 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.4 -26.05 62.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -44.97 -41.27 7.15 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.955 1.302 . . . . 0.0 111.413 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.21 -47.65 76.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.806 0.73 . . . . 0.0 109.846 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -57.59 -50.25 73.73 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.031 0.933 . . . . 0.0 109.029 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -52.33 58.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.678 176.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 62.7 m -62.8 -38.96 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.934 -0.478 . . . . 0.0 110.785 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -64.34 -36.24 83.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.859 -0.525 . . . . 0.0 111.634 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.93 -38.96 90.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.236 0.925 . . . . 0.0 109.277 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.92 -20.28 25.79 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 127.082 2.277 . . . . 0.0 114.499 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.64 -33.19 54.32 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.7 1.25 . . . . 0.0 110.595 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.387 1.475 . . . . 0.0 109.283 171.342 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.51 -40.98 63.05 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.122 0.569 . . . . 0.0 110.933 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.77 -30.28 63.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.072 0.949 . . . . 0.0 111.778 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -87.67 -49.0 7.44 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.727 0.811 . . . . 0.0 108.875 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -47.1 -51.58 17.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.97 0.908 . . . . 0.0 109.95 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p 46.16 -97.43 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.878 2.071 . . . . 0.0 112.394 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.74 88.59 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.718 0.807 . . . . 0.0 111.501 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 152.89 -54.38 0.0 OUTLIER 'General case' 0 C--O 1.23 0.063 0 C-N-CA 130.001 3.321 . . . . 0.0 105.243 -173.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 173.67 164.6 0.17 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 128.188 2.595 . . . . 0.0 105.944 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 65.88 1.72 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 170.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.62 -50.35 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.346 1.858 . . . . 0.0 111.881 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -49.28 -27.03 3.45 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 0.0 114.007 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p -57.68 -28.8 64.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 112.16 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -47.92 -48.96 31.47 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 79' ' ' LEU . . . . . 0.41 HD23 ' H ' ' D' ' 79' ' ' LEU . 1.6 pt? -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 176.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -56.23 -50.0 72.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.381 -0.824 . . . . 0.0 109.669 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.49 73.52 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.343 1.057 . . . . 0.0 109.181 175.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 34.0 m -59.87 -45.71 91.62 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.389 -0.82 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -63.88 -38.72 92.13 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.737 -0.602 . . . . 0.0 111.278 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.32 -33.45 75.86 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.539 -0.725 . . . . 0.0 110.153 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 1.89 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.517 -1.157 . . . . 0.0 113.606 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.09 -55.14 38.86 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.899 1.849 . . . . 0.0 108.236 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.904 -1.522 . . . . 0.0 109.751 169.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 47' ' ' ILE . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.407 HD11 ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.37 -36.52 73.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -74.83 -67.48 0.64 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -83.74 72.48 10.35 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.858 -0.527 . . . . 0.0 110.494 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.647 1.579 . . . . 0.0 108.969 170.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' B' ' 53' ' ' VAL . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.451 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' B' ' 33' ' ' LYS . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.39 -36.77 76.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.44 -57.98 10.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.837 0.455 . . . . 0.0 110.613 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -81.84 71.61 8.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.266 0.555 . . . . 0.0 109.802 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.132 -1.413 . . . . 0.0 110.785 177.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -138.97 65.26 1.45 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.678 1.191 . . . . 0.0 108.545 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -76.96 63.34 2.26 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.616 0.766 . . . . 0.0 109.779 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 64.95 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.688 1.995 . . . . 0.0 111.892 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 71.33 -51.17 0.69 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.672 1.989 . . . . 0.0 112.105 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -69.24 71.59 0.27 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.123 0.969 . . . . 0.0 110.094 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 76.45 0.36 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.148 . . . . 0.0 110.841 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -73.36 45.08 0.16 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.921 1.688 . . . . 0.0 112.744 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.26 8.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.163 0.985 . . . . 0.0 110.086 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.42 60.45 0.86 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.067 0.547 . . . . 0.0 110.15 176.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -82.17 -62.44 1.62 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.036 0.934 . . . . 0.0 109.37 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mp0 -54.78 -34.49 62.69 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.625 1.17 . . . . 0.0 110.538 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -41.81 -36.85 1.11 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.891 2.076 . . . . 0.0 112.755 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -48.97 -41.15 33.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.353 0.979 . . . . 0.0 111.006 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -97.28 -50.98 4.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.642 0.777 . . . . 0.0 109.039 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.69 -22.17 66.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -53.46 -42.76 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.506 1.048 . . . . 0.0 110.472 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.75 -43.97 82.69 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.75 -49.26 78.19 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.336 0.254 . . . . 0.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -54.46 -49.04 71.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.381 1.072 . . . . 0.0 110.197 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -60.43 -48.18 82.88 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -59.46 -35.77 74.7 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.714 -0.616 . . . . 0.0 111.406 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 53.1 mt -67.94 -11.19 58.31 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.94 55.04 0.47 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.09 -34.2 74.56 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.578 0.689 . . . . 0.0 110.556 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.194 -1.384 . . . . 0.0 108.538 169.216 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 51.0 pttt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.44 -55.16 3.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.295 1.038 . . . . 0.0 109.67 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.06 152.49 39.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -76.35 59.91 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 110.365 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -70.04 77.24 0.5 Allowed 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -75.59 39.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.774 1.629 . . . . 0.0 113.234 -169.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.72 58.04 2.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.096 0.958 . . . . 0.0 109.688 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -72.35 -0.56 12.69 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.02 68.98 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.499 -0.751 . . . . 0.0 109.61 171.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.59 52.65 0.66 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.476 1.11 . . . . 0.0 111.345 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -48.95 -36.06 16.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.963 1.305 . . . . 0.0 111.762 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -45.78 -30.74 1.74 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.905 1.682 . . . . 0.0 113.184 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -66.25 -22.98 66.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -33.59 8.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 -41.97 91.08 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.09 1.314 . . . . 0.0 111.452 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.98 -48.85 80.0 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.536 -0.728 . . . . 0.0 109.638 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -54.58 -43.32 72.01 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.17 -0.331 . . . . 0.0 110.196 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -60.91 -46.66 89.76 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.126 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -60.43 -37.86 82.25 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.86 0.754 . . . . 0.0 111.28 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.64 -36.58 81.04 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.725 -0.609 . . . . 0.0 110.996 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.94 -41.23 99.93 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.46 -46.37 88.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.065 0.946 . . . . 0.0 108.925 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.41 -1.281 . . . . 0.0 110.57 170.019 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.23 -18.68 17.09 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -52.21 -42.28 63.41 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.617 1.099 . . . . 0.0 109.392 169.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -73.85 71.41 1.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.093 -1.432 . . . . 0.0 110.648 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.28 -35.69 70.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.2 -34.79 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.679 -0.638 . . . . 0.0 111.864 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -124.81 72.38 1.22 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.139 0.976 . . . . 0.0 109.078 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.055 -177.645 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.816 0.341 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -56.04 119.84 6.52 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.5 mt 53.8 36.55 24.28 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.436 1.094 . . . . 0.0 111.079 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -73.88 0.09 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.84 1.256 . . . . 0.0 108.036 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 35.39 72.15 0.11 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.686 1.994 . . . . 0.0 112.07 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -47.96 -43.9 29.8 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.667 1.187 . . . . 0.0 113.203 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.98 44.2 0.46 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -81.03 56.09 2.68 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.887 -1.133 . . . . 0.0 109.69 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.97 22.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.018 0.927 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -76.94 67.02 2.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.64 0.776 . . . . 0.0 109.935 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -27.46 0.88 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.709 2.004 . . . . 0.0 113.756 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -43.15 -37.01 1.89 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.419 1.488 . . . . 0.0 111.919 171.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -43.96 -37.48 2.94 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.802 1.241 . . . . 0.0 112.403 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -50.35 -44.33 54.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.236 0.925 . . . . 0.0 111.153 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.24 -45.78 10.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.683 0.793 . . . . 0.0 109.708 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.67 -3.18 17.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -43.03 -52.44 5.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 127.892 2.477 . . . . 0.0 111.486 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.497 HD12 ' H ' ' C' ' 79' ' ' LEU . 5.4 mp -59.99 -56.16 25.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.72 -54.31 35.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.244 1.018 . . . . 0.0 109.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -52.9 -51.11 62.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.937 0.895 . . . . 0.0 110.283 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 85.8 m -60.58 -42.48 96.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.469 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -23.04 52.13 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -32.36 72.1 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.737 0.699 . . . . 0.0 109.811 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.56 73.43 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.988 -0.445 . . . . 0.0 112.385 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.56 -53.58 5.31 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.358 -1.306 . . . . 0.0 109.433 171.65 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.551 0.215 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.25 86.81 0.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 173.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.2 mt 64.87 -159.26 0.29 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 70.75 -50.16 0.67 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.191 1.396 . . . . 0.0 110.627 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -50.24 -34.99 24.93 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.577 -0.702 . . . . 0.0 110.149 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 30.1 p -68.52 70.16 0.17 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.963 1.705 . . . . 0.0 109.746 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.72 100.51 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 110.78 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -74.23 -1.39 20.33 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.265 -0.897 . . . . 0.0 113.119 -172.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.17 59.19 0.97 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.644 1.178 . . . . 0.0 111.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -57.79 -12.7 3.26 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.401 1.08 . . . . 0.0 113.695 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -46.57 -38.76 9.94 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.595 0.758 . . . . 0.0 109.442 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.1 -37.4 53.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.341 0.656 . . . . 0.0 112.492 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -3.07 55.48 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.233 1.013 . . . . 0.0 112.295 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -56.34 -35.92 68.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.62 -47.86 81.9 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.5 1.045 . . . . 0.0 110.236 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -53.82 -49.59 68.03 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.207 -0.308 . . . . 0.0 110.193 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -44.88 77.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.016 0.526 . . . . 0.0 110.79 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.65 -45.83 92.61 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -67.17 -38.19 85.01 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.229 -0.294 . . . . 0.0 110.812 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.62 -39.9 73.46 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.984 -175.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.4 58.54 0.43 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.38 -53.7 55.13 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.624 1.169 . . . . 0.0 109.621 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.236 176.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' B' ' 7' ' ' VAL . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.595 HG22 HG13 ' B' ' 7' ' ' VAL . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.33 -35.79 78.32 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -52.26 -55.59 20.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.192 0.997 . . . . 0.0 109.715 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -81.14 69.95 7.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.533 -175.118 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' THR . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.92 -36.11 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.27 -47.15 77.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.952 -0.468 . . . . 0.0 110.359 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -122.85 70.56 1.01 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.69 0.396 . . . . 0.0 110.147 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.564 -178.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -116.7 111.26 19.55 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 tp 71.2 -46.93 0.65 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.139 1.776 . . . . 0.0 112.258 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 75.29 0.74 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -164.99 -10.45 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.278 1.431 . . . . 0.0 112.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -76.0 45.41 0.35 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.094 1.758 . . . . 0.0 112.381 -171.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.54 -75.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.437 1.495 . . . . 0.0 108.918 -169.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.52 152.13 46.17 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.798 1.239 . . . . 0.0 109.282 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.65 -114.71 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.176 0.991 . . . . 0.0 109.504 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -109.45 -69.47 0.86 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.041 0.936 . . . . 0.0 111.526 -175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -47.29 -59.49 3.15 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.259 1.023 . . . . 0.0 111.332 -169.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -17.52 20.21 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.2 p -113.53 5.18 16.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.812 1.245 . . . . 0.0 112.249 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.63 -49.0 68.82 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.629 1.559 . . . . 0.0 110.793 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -42.4 32.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.284 1.833 . . . . 0.0 111.832 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.07 -12.21 36.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -55.17 -26.48 39.18 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 124.132 0.973 . . . . 0.0 111.906 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.54 -41.55 76.99 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.637 -0.664 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -69.43 -42.81 74.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.417 -0.802 . . . . 0.0 110.102 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.07 -43.4 73.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.537 0.684 . . . . 0.0 109.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.6 m -61.21 -40.76 95.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.027 0.531 . . . . 0.0 110.138 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -38.09 78.81 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.523 1.056 . . . . 0.0 111.518 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.67 -36.23 83.17 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.78 -50.82 56.6 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 169.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.03 -34.81 78.85 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.13 0.965 . . . . 0.0 111.777 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.254 1.302 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.326 -172.492 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.4 124.0 18.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 51.3 tp -167.19 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? 64.78 -67.6 0.12 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.925 2.09 . . . . 0.0 111.939 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 123.57 10.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.96 2.504 . . . . 0.0 111.657 -169.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m 65.96 -69.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.033 1.733 . . . . 0.0 113.534 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -35.02 -63.03 0.35 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 127.016 2.126 . . . . 0.0 113.155 -169.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -116.33 27.27 9.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.619 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.09 57.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.713 -0.617 . . . . 0.0 110.841 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -79.36 69.88 5.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.424 0.689 . . . . 0.0 109.232 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -43.76 -34.78 1.64 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.567 1.547 . . . . 0.0 111.781 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.75 -44.03 3.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.538 1.535 . . . . 0.0 111.35 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p -48.13 -40.43 23.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.692 0.797 . . . . 0.0 112.182 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -43.87 -39.72 4.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 79' ' ' LEU . . . . . 0.401 ' H ' HD12 ' D' ' 79' ' ' LEU . 6.8 mp -56.52 -45.23 81.22 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.978 -0.451 . . . . 0.0 110.567 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -60.48 -52.84 63.48 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.565 0.746 . . . . 0.0 109.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -50.86 -46.86 60.43 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.376 0.67 . . . . 0.0 109.865 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -60.42 -50.44 73.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.229 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -62.4 -37.41 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.625 0.648 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 54.1 tp -64.53 -37.8 88.81 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.935 -0.478 . . . . 0.0 109.774 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.08 -33.32 10.3 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.835 1.684 . . . . 0.0 114.203 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.9 -33.92 75.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.519 1.159 . . . . 0.0 111.621 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.357 -173.821 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 HG13 ' B' ' 7' ' ' VAL . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -66.84 -37.24 84.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -66.71 -66.78 0.51 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -86.04 69.58 10.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.926 -1.512 . . . . 0.0 111.384 179.252 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 81' ' ' THR . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.412 HG23 ' CZ ' ' D' ' 76' ' ' PHE . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.39 -35.95 82.57 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.89 -69.13 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -89.62 70.14 7.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.676 -177.223 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.858 0.361 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -91.24 -12.29 35.66 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.59 0.756 . . . . 0.0 111.465 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 64.8 tp -131.64 153.3 50.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 71.57 -53.47 0.68 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.69 1.596 . . . . 0.0 109.944 -169.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 71.54 -68.03 0.23 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.623 1.969 . . . . 0.0 108.454 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -67.69 130.63 43.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.267 1.027 . . . . 0.0 109.822 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 66.53 1.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -78.18 53.04 1.17 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.573 0.749 . . . . 0.0 111.927 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.09 -178.77 4.3 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.118 1.367 . . . . 0.0 107.634 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 73.45 -49.48 0.69 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.942 1.697 . . . . 0.0 112.662 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -50.32 -33.11 19.01 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.849 1.26 . . . . 0.0 113.539 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 pm0 -46.04 -33.0 3.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.354 1.062 . . . . 0.0 113.567 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.3 m -50.14 -32.21 15.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.626 1.17 . . . . 0.0 111.64 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -47.05 -40.65 15.36 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.659 0.784 . . . . 0.0 111.404 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.35 -50.86 4.83 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.13 -31.72 61.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -43.82 -47.19 8.09 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.972 1.309 . . . . 0.0 111.325 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.47 -61.01 2.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.523 0.601 . . . . 0.0 109.608 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -37.27 76.65 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.955 -0.465 . . . . 0.0 111.132 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.45 -48.89 76.1 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 122.127 -0.358 . . . . 0.0 110.167 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -61.08 -46.28 91.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.105 0.412 . . . . 0.0 110.073 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -62.44 -37.47 86.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.992 -0.442 . . . . 0.0 111.03 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.96 -40.49 68.61 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -37.9 84.22 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 125.128 1.347 . . . . 0.0 111.641 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.37 -25.57 59.68 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.137 0.468 . . . . 0.0 111.354 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.165 1.386 . . . . 0.0 112.591 169.376 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.514 0.673 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.91 110.16 1.47 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 37.1 mt 66.36 32.8 7.42 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.289 1.436 . . . . 0.0 111.629 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.36 -45.39 0.58 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.142 1.777 . . . . 0.0 113.44 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 43.65 62.09 2.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.312 1.845 . . . . 0.0 113.851 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -35.66 6.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.233 1.813 . . . . 0.0 113.383 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.78 -8.42 6.79 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.54 135.27 6.55 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.992 0.815 . . . . 0.0 111.029 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -58.96 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.157 1.783 . . . . 0.0 112.187 -173.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.34 58.6 2.63 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.795 0.838 . . . . 0.0 109.91 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -43.5 9.36 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.451 1.1 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -43.8 -30.8 0.71 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.079 1.752 . . . . 0.0 113.765 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -38.42 -44.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.083 0.953 . . . . 0.0 111.782 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' PHE . . . . . 0.412 ' CZ ' HG23 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -44.79 -35.12 2.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 79' ' ' LEU . . . . . 0.438 HD13 ' H ' ' D' ' 80' ' ' LYS . 0.0 OUTLIER -56.19 -48.65 75.96 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.187 177.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 80' ' ' LYS . . . . . 0.438 ' H ' HD13 ' D' ' 79' ' ' LEU . 51.4 pttt -73.48 -40.08 64.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.416 -0.802 . . . . 0.0 109.501 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -53.7 -51.15 64.17 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -68.08 -51.24 48.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.471 0.708 . . . . 0.0 110.587 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -65.78 -36.34 83.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.936 -0.478 . . . . 0.0 111.18 -172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.5 -40.54 76.94 Favored 'General case' 0 C--O 1.227 -0.106 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.03 -37.99 30.78 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.123 1.345 . . . . 0.0 112.737 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.98 -33.8 69.28 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.168 0.984 . . . . 0.0 112.114 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.475 1.11 . . . . 0.0 111.491 -176.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' B' ' 43' ' ' PHE . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.7 -37.19 78.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -14.71 61.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.686 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -123.84 69.13 1.04 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 171.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.505 -1.712 . . . . 0.0 111.398 -178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' A' ' 7' ' ' VAL . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.26 -35.65 79.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.3 -64.11 0.93 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.397 0.544 . . . . 0.0 109.681 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -86.07 72.12 10.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.367 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.852 -0.055 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 76.27 -54.24 0.6 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.068 1.747 . . . . 0.0 110.926 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.16 85.26 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.314 1.046 . . . . 0.0 109.304 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 73.66 -57.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.471 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.58 66.83 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.227 1.811 . . . . 0.0 109.434 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.2 p -80.93 69.05 7.42 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.546 1.538 . . . . 0.0 108.193 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.44 -89.76 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.258 1.823 . . . . 0.0 110.579 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.5 -27.46 62.28 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.908 0.483 . . . . 0.0 110.495 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 80.48 123.48 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.816 2.046 . . . . 0.0 111.824 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -44.3 -52.34 7.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.103 1.361 . . . . 0.0 111.939 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -47.55 -45.41 26.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.038 0.935 . . . . 0.0 112.051 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.565 0.346 . . . . 0.0 110.816 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 40.3 p -66.9 -28.8 68.6 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.526 -0.734 . . . . 0.0 111.476 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -48.17 -50.35 29.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.33 0.968 . . . . 0.0 112.393 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.91 -33.68 57.34 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.736 0.814 . . . . 0.0 112.0 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -89.98 -37.97 13.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -35.98 78.45 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.406 -0.809 . . . . 0.0 109.761 172.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.85 -51.98 46.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.772 0.715 . . . . 0.0 110.057 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -55.39 -53.47 55.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.2 -42.57 66.42 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -61.04 -44.64 97.09 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.292 0.637 . . . . 0.0 109.484 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -65.8 -35.27 80.22 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.067 -0.396 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.87 -38.8 87.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.387 0.994 . . . . 0.0 109.454 169.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.74 -21.87 10.57 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 127.603 2.525 . . . . 0.0 115.999 -169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.66 -37.48 63.19 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.86 1.33 . . . . 0.0 109.855 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.281 169.512 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.278 0.085 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.94 75.58 0.64 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.066 0.947 . . . . 0.0 109.42 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 41.2 mt 71.93 166.22 0.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.41 1.884 . . . . 0.0 109.416 -169.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.87 40.2 30.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.607 0.763 . . . . 0.0 109.509 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -45.93 -35.21 4.45 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.924 0.89 . . . . 0.0 113.205 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m 75.07 -56.16 0.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.602 1.161 . . . . 0.0 109.141 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.18 68.47 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.209 1.004 . . . . 0.0 108.76 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 152.72 29.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.868 1.667 . . . . 0.0 108.612 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 9.81 5.73 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.111 0.964 . . . . 0.0 111.603 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 66.65 -72.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.772 1.629 . . . . 0.0 111.529 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -61.58 -62.75 1.59 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.616 0.644 . . . . 0.0 110.31 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -57.23 -38.13 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -26.71 64.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -23.1 9.97 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.71 -31.88 49.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.326 0.966 . . . . 0.0 112.015 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.94 -41.46 71.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.734 0.414 . . . . 0.0 110.884 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -56.51 -50.03 72.99 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -62.35 -52.14 64.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.972 -0.455 . . . . 0.0 111.089 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -59.4 -37.1 77.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.134 0.574 . . . . 0.0 111.832 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.3 -39.93 14.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.214 0.461 . . . . 0.0 109.993 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.33 -33.65 76.78 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.372 0.987 . . . . 0.0 113.137 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 tp -54.97 -33.82 62.78 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.292 1.046 . . . . 0.0 110.923 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 116.918 -1.515 . . . . 0.0 109.584 177.908 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.53 -37.77 88.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.73 -40.72 96.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.523 0.602 . . . . 0.0 110.429 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -78.58 71.19 5.03 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.372 178.052 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.454 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.1 -36.23 74.8 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.51 -70.29 0.43 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -87.25 71.52 10.03 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.4 -1.286 . . . . 0.0 110.716 178.785 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -52.63 45.93 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 172.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 69.1 mt -52.08 -60.34 3.31 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.582 1.153 . . . . 0.0 110.511 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -76.2 71.81 2.95 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 172.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.96 164.19 6.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.919 1.287 . . . . 0.0 111.653 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 99.8 p 56.1 -108.75 0.45 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.111 1.764 . . . . 0.0 112.081 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.81 -163.69 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.781 1.232 . . . . 0.0 111.272 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -79.74 -4.34 51.48 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.674 -0.641 . . . . 0.0 111.955 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.75 -61.46 2.17 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 80.19 5.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 169.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -44.99 -27.55 0.56 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.439 1.496 . . . . 0.0 113.412 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.69 -40.7 2.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.446 1.098 . . . . 0.0 111.457 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -38.39 -44.36 0.91 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.273 1.829 . . . . 0.0 113.347 173.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.65 -31.47 10.98 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.424 0.556 . . . . 0.0 111.466 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -106.7 -48.21 3.58 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.244 1.418 . . . . 0.0 109.764 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -77.25 -5.8 50.7 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -45.55 -36.94 4.97 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.561 1.073 . . . . 0.0 112.046 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.31 -42.83 70.56 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.047 0.84 . . . . 0.0 111.134 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.2 -48.75 64.38 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.76 -0.588 . . . . 0.0 109.873 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -55.15 -50.86 68.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.602 0.715 . . . . 0.0 110.312 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.4 p -61.36 -45.03 96.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.027 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -35.76 76.68 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 120.064 1.302 . . . . 0.0 110.922 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.23 -38.2 90.21 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.894 0.77 . . . . 0.0 109.435 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.34 -54.99 31.87 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 123.369 0.509 . . . . 0.0 112.093 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.84 -37.27 86.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 117.653 0.727 . . . . 0.0 111.307 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.629 3.572 . . . . 0.0 107.144 -169.573 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -136.21 151.05 49.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.5 mt 73.26 169.49 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.074 1.75 . . . . 0.0 112.2 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 72.75 -58.76 0.59 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.833 2.053 . . . . 0.0 109.624 -169.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 47.65 -128.0 1.73 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.86 1.664 . . . . 0.0 109.108 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -74.36 56.03 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.484 1.114 . . . . 0.0 111.426 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.63 59.58 3.83 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.456 1.503 . . . . 0.0 112.484 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -74.3 54.18 0.55 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.299 0.64 . . . . 0.0 112.153 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 141.01 49.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.307 -0.87 . . . . 0.0 110.805 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -76.18 69.34 2.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -46.44 -32.6 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.874 1.67 . . . . 0.0 111.849 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.67 -46.0 7.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.052 1.341 . . . . 0.0 111.961 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p -55.43 -44.82 76.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.511 0.724 . . . . 0.0 111.874 -170.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -45.19 -36.53 3.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -47.87 -41.81 25.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 117.867 0.303 . . . . 0.0 111.812 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.13 70.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -61.49 -47.28 86.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.527 -0.733 . . . . 0.0 109.103 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 3.2 p -61.74 -37.95 86.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 117.639 0.2 . . . . 0.0 110.821 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -58.21 -38.0 75.92 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.34 26.66 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.763 0.825 . . . . 0.0 111.69 173.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.83 -51.69 0.19 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.119 -1.992 . . . . 0.0 108.119 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.05 -48.7 80.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.191 0.996 . . . . 0.0 109.919 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.844 -1.55 . . . . 0.0 112.387 -178.177 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.59 -27.81 64.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.83 -40.97 22.71 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.87 69.3 1.19 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 169.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.264 -178.241 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.434 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -59.4 -35.68 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -57.76 -40.58 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.359 173.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.7 69.86 3.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.802 -170.014 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -109.97 113.72 26.67 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -48.91 135.87 14.94 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.366 0.666 . . . . 0.0 110.347 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 67.29 -63.05 0.3 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.252 1.821 . . . . 0.0 111.671 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -52.32 -37.86 57.01 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.468 1.507 . . . . 0.0 112.442 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -49.73 -36.05 24.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.615 0.643 . . . . 0.0 111.716 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.63 42.71 1.24 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.055 0.542 . . . . 0.0 110.139 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -51.31 5.81 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -172.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.53 64.38 1.63 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.112 0.965 . . . . 0.0 112.796 -169.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.93 63.54 1.74 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -46.58 -45.67 19.03 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -48.29 -39.8 22.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.365 1.066 . . . . 0.0 112.503 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -59.19 -32.66 70.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.239 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -55.86 -46.34 78.27 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.831 1.196 . . . . 0.0 110.815 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -73.86 -50.94 17.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -69.92 -21.54 63.28 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -44.94 -46.25 10.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 125.939 1.696 . . . . 0.0 111.583 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.89 -50.67 71.25 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.293 0.497 . . . . 0.0 110.179 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -53.07 61.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.902 0.881 . . . . 0.0 109.164 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -50.75 -51.54 49.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.664 0.786 . . . . 0.0 109.844 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -62.25 -46.49 88.59 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.77 0.428 . . . . 0.0 110.83 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -64.13 -36.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.315 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.53 -40.93 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.07 56.73 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -54.65 39.34 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.586 0.708 . . . . 0.0 109.166 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.87 -1.538 . . . . 0.0 111.673 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mttp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.771 0.319 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -148.17 -177.91 6.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.684 1.994 . . . . 0.0 106.162 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.82 -39.48 65.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.003 0.521 . . . . 0.0 110.09 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -69.59 77.52 0.42 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -149.61 156.18 41.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.522 1.129 . . . . 0.0 108.158 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -71.39 58.55 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.069 1.747 . . . . 0.0 112.814 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 67.25 -59.66 0.39 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.169 2.188 . . . . 0.0 113.596 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.57 73.19 2.58 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.748 0.819 . . . . 0.0 110.315 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.65 81.05 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.441 1.097 . . . . 0.0 108.665 170.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 71' ' ' ARG . 2.9 mmp_? -34.46 -67.32 0.14 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.463 1.505 . . . . 0.0 114.401 -169.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -47.36 -61.67 1.8 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 0.0 111.002 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.08 -46.96 75.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.983 0.513 . . . . 0.0 111.171 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p -64.33 -33.33 75.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -47.57 -34.31 7.59 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.49 -43.51 68.27 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.583 0.753 . . . . 0.0 111.089 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -53.46 -54.52 35.78 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.196 0.522 . . . . 0.0 109.743 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -57.61 -42.47 83.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.677 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 23.6 m -60.58 -51.23 70.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.844 0.458 . . . . 0.0 109.849 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -66.58 -37.23 84.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.907 -0.496 . . . . 0.0 111.075 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.65 -38.46 80.48 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.957 -0.465 . . . . 0.0 110.686 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.05 -29.62 28.67 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.671 1.605 . . . . 0.0 113.922 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.63 -26.66 65.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.816 0.808 . . . . 0.0 111.962 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.158 -1.401 . . . . 0.0 108.968 176.898 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 81' ' ' THR . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 35' ' ' LEU . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.4 -36.44 71.3 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.35 -37.18 84.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -77.79 71.57 4.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.31 -1.328 . . . . 0.0 110.561 177.399 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.462 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.509 HG23 HG13 ' A' ' 7' ' ' VAL . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.05 -36.5 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.12 -44.65 71.99 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.803 -0.561 . . . . 0.0 110.59 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -120.53 71.39 0.92 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.896 0.479 . . . . 0.0 109.948 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.411 -1.28 . . . . 0.0 110.563 177.403 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -77.77 63.38 2.82 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.102 0.961 . . . . 0.0 111.721 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.0 55.06 2.03 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.607 -0.683 . . . . 0.0 110.081 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 64.94 -67.34 0.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.362 1.865 . . . . 0.0 111.745 -173.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -34.63 129.89 0.4 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.706 2.002 . . . . 0.0 111.512 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.62 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -168.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.04 74.33 1.2 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 119.796 1.18 . . . . 0.0 108.064 170.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -78.06 50.53 0.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.835 0.854 . . . . 0.0 110.765 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 115.3 2.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.114 0.966 . . . . 0.0 111.286 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 65.41 14.31 9.37 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.856 1.262 . . . . 0.0 113.919 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.69 -34.99 67.95 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.931 -1.105 . . . . 0.0 108.321 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.51 -39.82 2.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.308 1.843 . . . . 0.0 112.019 173.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 86.1 m -49.74 -32.31 13.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.267 1.027 . . . . 0.0 112.423 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -47.53 -36.65 10.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.512 0.597 . . . . 0.0 111.38 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.35 -46.41 4.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.744 1.218 . . . . 0.0 109.723 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -76.31 -3.74 38.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -44.46 -47.14 9.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.444 1.475 . . . . 0.0 111.654 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.39 -56.86 14.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.834 0.454 . . . . 0.0 109.88 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.73 -48.1 82.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.375 1.07 . . . . 0.0 110.812 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -55.59 -51.3 67.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.649 0.78 . . . . 0.0 109.767 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -60.69 -42.71 97.7 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -32.43 30.38 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -26.9 68.55 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.018 -0.426 . . . . 0.0 110.297 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.57 -31.0 35.89 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 123.505 0.574 . . . . 0.0 113.041 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.61 -20.74 53.43 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.242 1.021 . . . . 0.0 111.539 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.974 -1.488 . . . . 0.0 110.272 179.321 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -82.53 62.16 6.04 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 57.2 mt 48.44 32.91 3.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 111.862 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 58.24 14.56 2.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.718 1.207 . . . . 0.0 113.439 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -54.61 -53.55 53.21 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.584 1.084 . . . . 0.0 112.9 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 42.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.885 0.874 . . . . 0.0 111.379 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.01 26.7 1.43 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.27 1.828 . . . . 0.0 113.672 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -84.15 61.37 6.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.529 -0.732 . . . . 0.0 110.436 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.87 55.34 0.88 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.177 0.991 . . . . 0.0 111.223 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 127.416 2.287 . . . . 0.0 112.592 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -44.31 -62.18 1.25 Allowed 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 126.065 1.746 . . . . 0.0 112.497 -169.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -21.03 61.65 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -105.46 -28.66 10.7 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.614 0.765 . . . . 0.0 112.391 -170.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -43.9 -43.67 6.57 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.21 -44.15 80.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.866 0.757 . . . . 0.0 109.942 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -57.82 -50.67 72.49 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -53.81 -47.4 70.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.159 0.984 . . . . 0.0 109.965 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.33 -51.26 70.26 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -65.65 -36.49 83.84 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.845 -0.534 . . . . 0.0 111.52 -177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.36 -36.63 84.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.394 0.678 . . . . 0.0 109.624 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.31 -30.47 11.59 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.187 1.375 . . . . 0.0 114.01 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.04 -26.04 68.38 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.689 1.245 . . . . 0.0 112.221 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.198 -1.382 . . . . 0.0 110.305 -178.287 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD22 HD23 ' B' ' 10' ' ' LEU . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.09 -37.32 76.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.33 -60.35 2.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.139 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -85.26 70.67 10.87 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.452 0.644 . . . . 0.0 109.276 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 116.668 -1.635 . . . . 0.0 111.675 177.608 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 3' ' ' LEU . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.435 HD13 ' C ' ' B' ' 35' ' ' LEU . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.86 -35.06 70.41 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -74.84 -73.22 0.25 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -88.24 73.14 8.95 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.436 -0.79 . . . . 0.0 109.626 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.761 -1.114 . . . . 0.0 111.269 178.727 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 62' ' ' LYS . . . . . 0.607 ' N ' ' HE2' ' C' ' 69' ' ' HIS . 68.4 mttm . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -126.89 20.56 7.01 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.244 1.017 . . . . 0.0 110.826 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.93 90.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 57.07 42.07 26.44 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.479 1.112 . . . . 0.0 110.074 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 28.39 -104.81 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.45 1.9 . . . . 0.0 113.514 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p 55.54 -79.94 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.864 2.065 . . . . 0.0 113.926 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.63 -66.41 0.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.111 1.764 . . . . 0.0 109.185 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' HIS . . . . . 0.607 ' HE2' ' N ' ' C' ' 62' ' ' LYS . 56.1 p-80 34.67 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 128.999 2.92 . . . . 0.0 115.282 -172.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.85 90.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 52.3 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -51.4 -44.99 62.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.514 1.126 . . . . 0.0 112.076 -169.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.44 -31.57 45.96 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -175.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -11.27 59.79 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -176.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -47.53 -48.23 27.58 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.216 0.916 . . . . 0.0 111.104 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -15.96 50.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.165 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -97.01 -41.64 8.28 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -44.86 -50.89 10.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.743 0.817 . . . . 0.0 112.676 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.43 -23.58 57.86 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -60.77 -40.19 91.59 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 119.134 0.879 . . . . 0.0 110.449 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -51.91 67.97 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 175.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -59.16 -39.9 83.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.86 -36.75 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 122.127 -0.358 . . . . 0.0 110.948 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 tp -71.69 -39.09 70.43 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.719 -0.613 . . . . 0.0 110.881 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.28 65.25 0.41 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 126.449 1.976 . . . . 0.0 108.416 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -64.46 0.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.282 1.433 . . . . 0.0 109.166 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.428 -1.272 . . . . 0.0 109.055 173.491 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? 64.97 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.195 1.798 . . . . 0.0 111.939 -176.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -51.49 117.58 2.74 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 66.52 2.34 2.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.706 1.602 . . . . 0.0 114.133 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -61.86 1.53 Allowed 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m 49.11 -94.71 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.779 2.032 . . . . 0.0 111.889 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.5 56.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.994 0.918 . . . . 0.0 112.005 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -73.15 60.11 0.56 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.107 0.963 . . . . 0.0 110.047 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.64 47.7 1.5 Allowed 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.062 0.945 . . . . 0.0 109.137 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -83.22 57.56 4.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -49.03 -37.31 20.36 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.86 1.264 . . . . 0.0 112.614 -169.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -44.6 -34.88 2.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.357 1.063 . . . . 0.0 112.822 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -51.05 -35.37 34.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.662 0.785 . . . . 0.0 111.686 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -44.73 -45.35 9.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.09 -53.0 62.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.714 0.405 . . . . 0.0 110.155 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -55.22 -49.06 72.93 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.994 0.918 . . . . 0.0 109.861 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -49.36 66.26 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.521 1.128 . . . . 0.0 109.411 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 45.4 m -60.3 -48.26 82.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.011 0.524 . . . . 0.0 109.671 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -63.3 -37.47 87.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.531 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 tt -72.98 -39.12 66.38 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.735 -0.603 . . . . 0.0 110.421 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.5 60.25 0.36 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.974 -1.651 . . . . 0.0 108.974 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.35 13.31 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.781 2.032 . . . . 0.0 115.72 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.192 -177.069 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.75 -36.79 74.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.78 -69.77 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.461 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -123.6 89.61 3.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.481 1.512 . . . . 0.0 109.887 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.131 -1.414 . . . . 0.0 111.652 173.867 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -58.8 -36.32 74.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.19 -61.86 1.8 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -80.39 70.86 7.15 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.327 -1.32 . . . . 0.0 110.029 -172.618 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.687 0.28 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.77 63.99 2.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.905 0.482 . . . . 0.0 109.839 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -77.43 60.73 2.11 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 109.721 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 68.29 -63.71 0.32 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.289 2.236 . . . . 0.0 110.83 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.279 15.8 ptp180 58.44 -56.46 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.268 3.027 . . . . 0.0 115.995 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -73.1 64.64 0.75 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.175 1.79 . . . . 0.0 112.321 -170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.66 -31.72 38.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.762 1.225 . . . . 0.0 113.131 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -61.74 -18.92 61.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.325 1.05 . . . . 0.0 113.34 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 126.9 8.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.109 0.964 . . . . 0.0 111.302 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . 0.271 2.6 mmp_? 66.03 -38.85 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.952 2.101 . . . . 0.0 115.4 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -52.35 -42.03 63.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.623 1.101 . . . . 0.0 109.658 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.11 -39.0 5.54 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.484 1.113 . . . . 0.0 113.005 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -96.3 -2.07 46.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.508 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -48.56 -46.45 39.03 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.693 1.133 . . . . 0.0 111.68 -171.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -42.18 90.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.941 0.497 . . . . 0.0 110.036 -176.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.04 -20.58 34.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -52.64 -31.04 34.79 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.007 0.821 . . . . 0.0 110.961 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.06 -17.47 2.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.263 1.025 . . . . 0.0 112.793 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -51.67 -30.8 23.26 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.182 0.901 . . . . 0.0 111.357 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.43 -51.98 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.326 0.651 . . . . 0.0 109.271 170.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 77.8 m -77.69 -26.39 50.19 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.342 0.657 . . . . 0.0 111.538 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -37.25 80.02 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 171.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mp -77.29 -40.57 43.98 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.244 0.475 . . . . 0.0 109.962 171.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.47 57.23 0.43 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.397 0.998 . . . . 0.0 111.623 -171.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.18 -49.76 60.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.072 0.949 . . . . 0.0 109.986 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.213 1.405 . . . . 0.0 111.274 175.418 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -76.97 45.22 0.42 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.476 0.71 . . . . 0.0 112.437 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 62.8 tp -71.76 127.0 31.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 170.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.2 62.87 0.69 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.659 1.184 . . . . 0.0 111.589 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -87.86 -43.56 11.72 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.032 1.333 . . . . 0.0 109.888 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -42.62 118.26 1.19 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.386 1.874 . . . . 0.0 111.429 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.58 -59.27 0.5 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.908 1.683 . . . . 0.0 112.121 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -52.1 -36.53 51.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.002 0.921 . . . . 0.0 113.009 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.35 70.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.174 0.59 . . . . 0.0 112.027 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -76.56 72.35 3.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -43.65 -43.13 5.63 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.51 . . . . 0.0 113.58 -169.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.42 -34.56 7.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m -43.61 -42.14 4.99 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.559 1.143 . . . . 0.0 111.714 173.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -41.36 -50.76 3.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.21 -38.91 84.8 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.355 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -65.03 -51.6 60.69 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -54.66 -48.16 72.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.707 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -60.73 -52.74 63.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.657 0.383 . . . . 0.0 110.12 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -62.24 -37.15 84.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.492 0.317 . . . . 0.0 111.606 -174.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.06 -40.15 68.51 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.21 -27.09 38.15 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.371 1.462 . . . . 0.0 113.333 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.76 -20.75 63.9 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.161 0.981 . . . . 0.0 112.51 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.329 172.612 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 HD23 ' B' ' 10' ' ' LEU . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -109.84 -36.61 5.86 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -66.85 -61.02 2.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -82.53 70.82 9.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.447 -1.263 . . . . 0.0 109.341 177.033 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.406 HD23 HD22 ' A' ' 3' ' ' LEU . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.479 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.6 -10.27 2.16 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.91 -39.82 75.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.326 1.421 . . . . 0.0 108.737 168.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -78.08 71.02 4.53 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.634 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -75.59 69.22 2.3 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 mt 64.92 -167.18 0.22 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.353 1.061 . . . . 0.0 110.253 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.09 -69.23 0.18 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.188 1.395 . . . . 0.0 108.579 -169.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 45.56 59.5 3.58 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 111.865 170.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -32.35 2.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.26 1.824 . . . . 0.0 114.548 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.98 27.18 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.283 1.033 . . . . 0.0 113.518 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 111.78 0.32 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 111.905 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.12 -70.56 0.09 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.292 1.837 . . . . 0.0 111.718 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 67.97 -54.86 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.596 2.358 . . . . 0.0 114.973 171.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -44.5 -35.82 2.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.104 1.762 . . . . 0.0 113.62 -170.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.73 -41.26 4.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.575 1.15 . . . . 0.0 111.999 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -45.29 -40.59 7.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.955 1.302 . . . . 0.0 111.463 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -56.86 -23.65 45.82 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -107.48 -49.84 3.18 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.834 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.73 -12.59 4.42 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttm105 -44.4 -34.38 1.99 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.412 1.085 . . . . 0.0 110.488 168.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -44.68 37.21 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.578 0.626 . . . . 0.0 112.308 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -65.37 -50.45 65.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -55.43 -42.49 74.24 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.1 m -61.03 -57.49 12.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.987 0.515 . . . . 0.0 109.713 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -62.33 -38.32 89.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.087 0.403 . . . . 0.0 110.876 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.31 -35.0 78.92 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.434 0.694 . . . . 0.0 109.638 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.48 -25.78 9.11 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.498 1.047 . . . . 0.0 113.808 172.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.6 -24.77 63.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.879 1.339 . . . . 0.0 111.599 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.502 -1.714 . . . . 0.0 111.78 176.815 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 tttp . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -84.05 63.67 7.75 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.37 -33.05 71.9 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 58.12 0.41 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.422 1.089 . . . . 0.0 110.199 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.2 -33.93 65.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.983 0.913 . . . . 0.0 112.422 -170.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m 70.88 -57.01 0.61 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.044 1.738 . . . . 0.0 113.654 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.92 64.21 0.98 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.941 1.296 . . . . 0.0 112.059 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -79.09 6.08 10.38 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.281 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 75.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.136 1.374 . . . . 0.0 112.279 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -88.35 177.98 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -43.48 -45.3 6.37 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -169.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -41.9 12.8 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.536 0.735 . . . . 0.0 111.688 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -22.5 66.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -48.66 -42.55 34.91 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.91 -42.41 94.75 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.098 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -55.8 -55.44 32.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.913 0.485 . . . . 0.0 110.367 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -64.24 -32.36 73.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.846 179.397 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 86.8 m -60.65 -52.82 63.53 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.395 173.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -63.51 -35.94 82.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.55 1.068 . . . . 0.0 110.852 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.52 -39.32 94.12 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.826 0.284 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.11 44.13 1.56 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.32 -48.27 70.86 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 117.871 0.835 . . . . 0.0 111.147 -171.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 116.525 -1.702 . . . . 0.0 107.578 178.481 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 53' ' ' VAL . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.88 -38.82 83.3 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.17 -58.37 3.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 110.724 -173.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.12 73.04 6.95 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.081 -1.437 . . . . 0.0 111.766 -173.787 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.462 HD13 ' C ' ' B' ' 35' ' ' LEU . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -90.55 -36.48 14.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.75 -49.28 0.96 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -123.24 72.59 1.12 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.416 1.086 . . . . 0.0 110.371 -169.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 91' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 127.795 2.438 . . . . 0.0 114.263 -173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.407 0.146 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 141.61 57.87 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp 73.74 -47.18 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.995 1.718 . . . . 0.0 112.295 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -71.74 62.14 0.4 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.132 1.373 . . . . 0.0 110.897 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 54.47 2.45 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.472 1.109 . . . . 0.0 109.352 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -78.21 56.04 1.61 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.725 1.21 . . . . 0.0 111.562 -170.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 63.55 2.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.099 0.959 . . . . 0.0 109.738 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -75.95 62.35 1.6 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.115 0.966 . . . . 0.0 110.807 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.46 120.33 9.72 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 172.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -81.82 54.89 2.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.93 0.492 . . . . 0.0 109.909 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.66 51.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.364 1.066 . . . . 0.0 112.835 -171.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -48.11 -29.33 3.51 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.876 1.271 . . . . 0.0 112.974 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -42.01 -37.01 1.25 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.58 1.152 . . . . 0.0 112.015 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.21 -40.12 15.49 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.494 0.718 . . . . 0.0 111.584 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -104.88 -47.26 4.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.449 0.7 . . . . 0.0 111.537 170.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.2 -20.47 62.82 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -47.03 -41.5 16.7 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.211 0.914 . . . . 0.0 110.634 169.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.27 -46.73 85.49 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -58.79 -49.1 78.94 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.68 -44.46 90.24 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.072 -0.392 . . . . 0.0 110.651 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 99.3 m -59.59 -38.87 82.36 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.961 0.504 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -31.99 14.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.048 0.539 . . . . 0.0 111.455 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.24 -35.93 78.6 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.756 -0.59 . . . . 0.0 109.891 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.59 -19.14 57.71 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.724 -0.487 . . . . 0.0 113.124 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.95 -17.95 54.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.401 1.1 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.036 -1.459 . . . . 0.0 109.164 169.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.043 -0.027 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.19 129.92 32.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 48.0 tp 67.34 -58.77 0.41 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.158 1.783 . . . . 0.0 111.778 -171.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -42.64 -43.87 4.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.155 1.782 . . . . 0.0 112.34 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -44.27 -32.02 1.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.703 1.601 . . . . 0.0 113.673 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 12.3 m -57.29 -30.39 64.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.475 0.71 . . . . 0.0 112.177 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 70.66 -34.06 0.28 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.303 1.841 . . . . 0.0 114.199 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -147.19 171.46 15.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.181 1.392 . . . . 0.0 109.192 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.36 147.45 47.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.547 1.539 . . . . 0.0 107.704 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 59.58 0.96 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.925 0.89 . . . . 0.0 109.494 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.09 -36.57 51.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.092 0.957 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.02 -2.49 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.777 1.231 . . . . 0.0 114.052 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p -115.33 -2.42 12.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 120.146 1.339 . . . . 0.0 113.321 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -56.55 -33.56 66.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.72 -38.38 78.2 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.96 -0.462 . . . . 0.0 111.722 171.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -69.42 -44.42 71.39 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.845 -1.159 . . . . 0.0 109.238 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -53.77 -43.07 68.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.584 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -60.43 -51.88 67.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.472 0.709 . . . . 0.0 110.059 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.01 -35.56 73.46 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.93 -24.17 66.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.632 -0.667 . . . . 0.0 110.99 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.78 -17.97 0.95 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.402 1.477 . . . . 0.0 113.958 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 60.9 tp -47.29 -46.71 25.2 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.377 1.588 . . . . 0.0 110.259 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.901 -1.523 . . . . 0.0 112.279 -177.453 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.8 -36.56 84.7 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.07 71.36 3.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -67.71 80.48 0.19 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.252 1.021 . . . . 0.0 111.26 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.409 1.483 . . . . 0.0 109.807 176.856 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 53' ' ' VAL . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' B' ' 33' ' ' LYS . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.34 -18.2 36.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -49.84 -36.28 26.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.171 0.896 . . . . 0.0 109.808 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -123.44 72.41 1.12 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.67 -1.633 . . . . 0.0 111.593 176.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.407 0.146 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.97 -42.42 84.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.659 0.384 . . . . 0.0 111.06 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 73.9 mt 47.81 56.22 7.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.503 1.121 . . . . 0.0 111.767 171.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.85 -50.19 0.69 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.869 1.668 . . . . 0.0 113.289 174.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.273 16.0 ptp180 -6.79 -69.09 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.845 2.858 . . . . 0.0 116.428 -169.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -41.19 95.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.485 1.114 . . . . 0.0 111.895 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.47 71.8 2.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.776 1.23 . . . . 0.0 110.405 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.1 168.81 18.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.427 1.091 . . . . 0.0 108.733 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.28 104.15 14.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' ARG . . . . . 0.488 ' H ' ' CD ' ' C' ' 71' ' ' ARG . 0.0 OUTLIER -61.7 116.94 5.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 175.15 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -44.48 -43.49 7.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.236 1.014 . . . . 0.0 113.05 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -45.28 -38.03 5.25 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 8.6 m -50.71 -40.59 54.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.665 0.786 . . . . 0.0 110.498 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.27 -48.35 68.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.486 0.714 . . . . 0.0 110.543 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -75.13 -50.07 17.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt -58.48 -24.06 59.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp-105 -44.93 -39.49 5.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.538 1.135 . . . . 0.0 111.148 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.2 -40.78 74.4 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.72 -0.612 . . . . 0.0 110.622 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.55 -51.89 67.62 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -52.25 -47.02 65.99 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.55 0.34 . . . . 0.0 110.478 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 81.7 m -60.52 -50.4 73.72 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.83 -34.97 75.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.298 -0.876 . . . . 0.0 110.924 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.59 5.45 3.86 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.53 60.26 0.27 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.868 -2.093 . . . . 0.0 107.868 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.85 -32.7 74.53 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.145 -1.407 . . . . 0.0 110.442 178.09 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 62' ' ' LYS . . . . . 0.632 ' N ' ' HG ' ' D' ' 67' ' ' SER . 45.5 mmtm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -74.06 78.04 1.72 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.633 0.73 . . . . 0.0 109.095 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt 47.75 -109.35 0.28 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 111.139 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -65.32 -17.07 64.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.973 0.909 . . . . 0.0 112.547 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -31.49 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.76 -0.587 . . . . 0.0 110.269 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 67' ' ' SER . . . . . 0.632 ' HG ' ' N ' ' D' ' 62' ' ' LYS . 1.9 m -72.44 69.85 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.885 1.274 . . . . 0.0 112.294 -173.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.17 41.41 23.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.714 1.205 . . . . 0.0 113.939 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -84.32 -152.64 0.14 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 133.47 56.12 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.493 -1.379 . . . . 0.0 107.613 169.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -82.41 60.04 4.89 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.43 -49.62 7.09 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.878 1.671 . . . . 0.0 112.193 -172.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -48.87 -36.3 16.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.767 1.227 . . . . 0.0 112.738 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p -94.91 -9.53 33.88 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -49.38 -48.66 46.73 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -49.66 -40.98 41.68 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.46 -25.36 64.96 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.745 0.818 . . . . 0.0 111.302 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -86.28 -43.29 13.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 109.186 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.5 m -60.18 -31.79 70.46 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.935 0.894 . . . . 0.0 110.318 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -48.67 -35.99 15.05 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.279 1.031 . . . . 0.0 111.561 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.64 -23.13 67.16 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.264 -0.898 . . . . 0.0 110.879 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.31 48.1 0.97 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 169.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -21.01 63.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.791 0.796 . . . . 0.0 112.944 173.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.971 1.709 . . . . 0.0 111.442 -174.452 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -58.72 -35.3 72.47 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.33 -57.68 4.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.279 0.632 . . . . 0.0 109.961 169.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.04 71.08 4.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.402 0.681 . . . . 0.0 110.023 -171.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.531 171.635 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' B' ' 47' ' ' ILE . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' B' ' 36' ' ' ILE . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -58.42 -20.26 43.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.71 -35.05 13.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.868 0.758 . . . . 0.0 110.255 169.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -122.39 69.72 0.97 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.723 -1.608 . . . . 0.0 111.766 175.459 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.788 -0.078 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -129.67 47.57 2.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.06 0.944 . . . . 0.0 109.121 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.86 80.4 3.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.84 0.456 . . . . 0.0 110.409 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 78.42 -59.86 0.41 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.607 1.563 . . . . 0.0 110.828 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -48.71 -25.91 2.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.46 2.304 . . . . 0.0 114.545 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -58.58 75.25 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.937 1.695 . . . . 0.0 113.732 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.68 -115.11 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -123.41 26.8 7.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.149 0.58 . . . . 0.0 110.905 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.92 89.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 53.94 39.91 31.0 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.625 1.17 . . . . 0.0 110.486 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.82 -42.53 5.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.396 1.878 . . . . 0.0 113.721 -169.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.25 -37.59 36.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 54.5 p -77.72 -13.59 59.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.511 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -48.27 -46.26 35.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.533 1.133 . . . . 0.0 111.323 -172.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -54.88 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.926 0.89 . . . . 0.0 109.226 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.66 -34.22 64.79 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 42.6 ttp-105 -47.28 -45.21 23.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.716 0.806 . . . . 0.0 110.73 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.15 -39.86 95.89 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.618 0.645 . . . . 0.0 110.151 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -53.57 47.37 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -54.61 -40.93 69.37 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.816 -0.553 . . . . 0.0 111.455 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -60.5 -24.11 65.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.714 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmt-85 -50.87 -31.02 16.11 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.298 1.408 . . . . 0.0 113.053 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.91 -37.47 87.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.187 0.449 . . . . 0.0 111.361 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.91 -19.37 11.97 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.659 1.123 . . . . 0.0 112.869 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 50.0 tp -39.36 -46.12 1.56 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.4 2.28 . . . . 0.0 111.45 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--O 1.254 1.301 0 CA-C-O 116.763 -1.589 . . . . 0.0 107.316 168.9 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.615 0.245 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -167.77 170.36 10.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt 62.78 -175.9 0.14 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.224 1.01 . . . . 0.0 110.868 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 69.44 -60.69 0.46 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.605 1.962 . . . . 0.0 110.053 -170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 63.39 -73.13 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.458 2.303 . . . . 0.0 112.009 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -41.23 -65.31 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.13 2.172 . . . . 0.0 111.674 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.51 76.5 0.27 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.163 0.985 . . . . 0.0 109.372 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -74.95 54.13 0.63 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.282 1.433 . . . . 0.0 112.209 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -33.74 73.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 109.146 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.14 66.39 0.16 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.012 1.725 . . . . 0.0 107.645 169.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.34 -40.51 68.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -44.92 -47.72 11.27 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.851 0.751 . . . . 0.0 111.153 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -72.09 -22.71 61.31 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.514 1.126 . . . . 0.0 112.085 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -45.56 -46.98 14.49 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.42 -49.25 69.89 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 119.003 0.82 . . . . 0.0 110.41 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -52.28 -51.77 56.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -57.67 -44.91 86.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.494 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 91.2 m -60.6 -46.84 88.73 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.648 0.658 . . . . 0.0 109.999 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -65.14 -37.59 87.92 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.925 -0.484 . . . . 0.0 111.277 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.35 -38.09 89.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.174 0.512 . . . . 0.0 110.311 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.44 -19.7 34.61 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 126.051 1.786 . . . . 0.0 113.592 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.99 -30.95 66.47 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.37 1.085 . . . . 0.0 111.298 173.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.04 -1.457 . . . . 0.0 110.071 175.093 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 HG23 ' B' ' 81' ' ' THR . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 7' ' ' VAL . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 . . . . . 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 118.484 -0.769 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.456 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.402 HG22 ' CE2' ' B' ' 70' ' ' PHE . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.574 HG21 HD11 ' B' ' 47' ' ' ILE . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.574 HD11 HG21 ' B' ' 36' ' ' ILE . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.406 HG12 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 81' ' ' THR . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 110.761 -0.089 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.439 -0.989 0 CA-C-O 117.87 -1.062 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 . . . . . 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.62 HG13 HG23 ' B' ' 81' ' ' THR . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD21 HD11 ' B' ' 3' ' ' LEU . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' B' ' 81' ' ' THR . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 . . . . . 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 35' ' ' LEU . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HB2' HG21 ' B' ' 53' ' ' VAL . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.448 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' B' ' 33' ' ' LYS . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 7' ' ' VAL . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 118.922 -0.561 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG23 ' A' ' 53' ' ' VAL 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' VAL . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.617 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 50' ' ' GLN . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 HG13 ' B' ' 7' ' ' VAL . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.499 HG13 HG23 ' A' ' 81' ' ' THR . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.417 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 119.007 -0.521 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 47' ' ' ILE . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.407 HD11 ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' B' ' 53' ' ' VAL . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.451 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' B' ' 33' ' ' LYS . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.136 0.493 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? . . . . . 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' B' ' 7' ' ' VAL . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.595 HG22 HG13 ' B' ' 7' ' ' VAL . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' THR . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 119.15 -0.452 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 . . . . . 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 HG13 ' B' ' 7' ' ' VAL . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 81' ' ' THR . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.412 HG23 ' CZ ' ' D' ' 76' ' ' PHE . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . 0.412 ' CZ ' HG23 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 . . . . . 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' B' ' 43' ' ' PHE . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.426 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' A' ' 7' ' ' VAL . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 . . . . . 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.425 0.631 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.454 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 121.207 0.527 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 119.341 -0.362 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.434 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 81' ' ' THR . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.509 HG23 HG13 ' A' ' 7' ' ' VAL . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.366 0.603 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 . . . . . 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.482 HD22 HD23 ' B' ' 10' ' ' LEU . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 . . . . . 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 3' ' ' LEU . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.435 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 . . . . . 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 118.979 -0.534 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 119.323 -0.37 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 . . . . . 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 HD23 ' B' ' 10' ' ' LEU . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.406 HD23 HD22 ' A' ' 3' ' ' LEU . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.479 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 . . . . . 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 53' ' ' VAL . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 117.735 -1.126 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 . . . . . 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 53' ' ' VAL . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' B' ' 33' ' ' LYS . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 . . . . . 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' B' ' 47' ' ' ILE . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' B' ' 36' ' ' ILE . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.637 -0.696 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 . . . . . 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.655 -0.212 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -54.61 -50.44 68.08 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.447 -0.783 . . . . 0.0 111.961 -172.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.42 -45.18 88.96 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.607 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.99 -44.11 82.38 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 118.38 0.536 . . . . 0.0 110.341 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -60.23 -53.73 54.16 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.8 55.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.828 0.851 . . . . 0.0 110.417 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 HG23 ' B' ' 81' ' ' THR . 11.4 t -57.44 -55.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.821 0.848 . . . . 0.0 111.583 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.82 -32.82 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.449 1.022 . . . . 0.0 110.642 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.44 69.65 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.762 0.71 . . . . 0.0 110.808 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.9 -50.39 68.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.575 0.625 . . . . 0.0 110.651 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.4 mt -55.44 -52.32 47.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.19 -52.92 60.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.842 0.457 . . . . 0.0 110.748 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.79 -51.66 64.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.78 -52.03 65.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.877 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -53.96 -52.59 60.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.764 0.825 . . . . 0.0 110.482 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -64.73 -47.88 76.64 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 119.355 -0.938 . . . . 0.0 110.626 -175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -58.67 -45.33 89.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.747 0.703 . . . . 0.0 109.841 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -57.95 -22.87 51.14 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.559 1.543 . . . . 0.0 112.942 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.73 -24.66 71.77 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -74.95 -54.11 7.78 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 117.918 0.859 . . . . 0.0 110.797 -169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -139.51 107.46 5.7 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.56 -144.74 13.7 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 105.562 -3.015 . . . . 0.0 105.562 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -160.19 63.5 0.34 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.987 0.893 . . . . 0.0 110.045 169.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 72.63 -45.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.677 1.591 . . . . 0.0 114.328 169.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -89.95 -10.31 45.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.889 1.675 . . . . 0.0 112.848 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -145.12 122.03 11.3 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.903 0.774 . . . . 0.0 111.724 -169.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.43 122.48 29.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 117.474 -1.25 . . . . 0.0 108.445 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -69.22 160.76 30.55 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.024 1.284 . . . . 0.0 109.876 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -52.06 -38.42 57.04 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -55.04 -50.06 70.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.141 0.976 . . . . 0.0 110.785 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -70.46 -41.64 72.52 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.971 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -59.46 -47.48 85.33 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.68 -56.12 22.57 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.507 0.723 . . . . 0.0 109.581 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.69 -51.43 69.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -48.49 -54.1 15.56 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.372 1.469 . . . . 0.0 109.517 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.1 mt -58.95 -55.6 22.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 118.339 0.518 . . . . 0.0 110.413 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -52.41 -49.63 64.11 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.711 . . . . 0.0 111.925 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -76.29 -39.74 53.44 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 127.075 2.15 . . . . 0.0 112.943 -169.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -115.68 -35.57 4.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.814 0.846 . . . . 0.0 112.891 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -88.29 11.67 16.02 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.784 1.174 . . . . 0.0 110.986 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.26 -34.73 6.9 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 128.253 2.621 . . . . 0.0 115.725 -169.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -82.01 -32.84 30.36 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.94 -0.475 . . . . 0.0 110.001 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -85.94 -44.99 11.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.203 0.601 . . . . 0.0 109.933 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.53 139.76 50.52 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 171.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -72.76 164.02 27.21 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -54.8 151.65 8.19 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 123.958 0.903 . . . . 0.0 112.084 -173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.53 94.7 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.268 1.427 . . . . 0.0 109.767 -171.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.42 -29.81 59.86 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.783 0.833 . . . . 0.0 109.807 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.19 85.74 0.15 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.147 0.979 . . . . 0.0 112.421 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -25.09 3.95 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.873 0.869 . . . . 0.0 112.69 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -63.71 -48.21 77.99 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.5 0.72 . . . . 0.0 110.351 172.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.3 -42.74 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 O-C-N 121.758 -0.589 . . . . 0.0 110.542 -170.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.99 -45.19 76.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -59.65 -44.36 93.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.803 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.09 -51.29 69.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.245 0.93 . . . . 0.0 112.101 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.8 m -67.6 -32.42 56.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.607 -0.683 . . . . 0.0 109.847 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.6 ttm -65.32 -53.23 46.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 122.021 -0.424 . . . . 0.0 110.5 170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.05 -39.51 63.29 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 125.822 1.649 . . . . 0.0 110.177 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.9 m -53.92 -38.67 65.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.623 1.169 . . . . 0.0 110.509 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.9 mt -104.62 -13.64 15.9 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -67.98 77.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -50.64 -32.84 20.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.045 1.338 . . . . 0.0 113.245 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -81.43 -18.25 46.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.148 0.431 . . . . 0.0 112.147 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.39 40.55 46.35 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.11 1.338 . . . . 0.0 112.487 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -118.94 15.13 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.966 0.883 . . . . 0.0 111.245 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.6 31.52 67.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.356 -0.84 . . . . 0.0 112.201 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.33 175.24 9.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 127.512 2.325 . . . . 0.0 109.118 171.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.57 128.93 40.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 169.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -73.07 157.5 37.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.794 0.838 . . . . 0.0 108.758 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.59 -40.73 39.84 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.634 0.374 . . . . 0.0 111.651 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -52.92 -52.07 59.1 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.048 0.539 . . . . 0.0 111.409 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.31 -41.85 96.63 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.026 0.441 . . . . 0.0 110.059 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.43 -50.96 66.42 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.66 0.384 . . . . 0.0 110.705 172.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 87.4 mmm -58.87 -41.69 87.67 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.754 0.706 . . . . 0.0 111.326 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.92 90.06 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.745 -0.597 . . . . 0.0 111.339 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -59.41 -51.88 68.01 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.319 0.648 . . . . 0.0 109.833 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.02 -43.43 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.187 0.995 . . . . 0.0 109.878 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.06 -53.36 58.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.076 0.853 . . . . 0.0 111.176 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -67.42 -42.8 82.6 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.13 -0.356 . . . . 0.0 111.525 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -56.44 -51.74 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 110.014 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.6 m -59.53 -44.53 93.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.418 0.687 . . . . 0.0 109.695 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -58.53 -45.96 87.77 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.638 0.654 . . . . 0.0 110.982 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.53 80.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.573 0.624 . . . . 0.0 110.461 175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.72 -34.06 77.03 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.869 -0.519 . . . . 0.0 112.216 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.4 -41.68 88.97 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 120.989 -1.069 . . . . 0.0 110.54 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.49 -48.38 79.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.14 -52.21 37.01 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 120.881 0.372 . . . . 0.0 111.126 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.18 -23.99 62.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.274 1.03 . . . . 0.0 112.562 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -50.82 -37.57 43.57 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.978 0.808 . . . . 0.0 110.999 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -122.75 73.42 1.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.779 1.232 . . . . 0.0 109.079 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.39 -1.291 . . . . 0.0 111.669 173.456 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -55.35 -54.12 47.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.981 0.896 . . . . 0.0 109.766 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.98 -34.3 78.09 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.304 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -60.86 -43.69 98.04 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.811 0.732 . . . . 0.0 110.228 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -59.6 -53.86 53.12 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.01 24.94 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.8 t -52.5 -55.06 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 125.563 1.545 . . . . 0.0 111.2 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -63.8 -32.59 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 O-C-N 121.33 -0.856 . . . . 0.0 111.122 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.34 90.14 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.029 0.831 . . . . 0.0 110.939 173.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.83 -51.43 65.87 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 118.492 0.587 . . . . 0.0 109.763 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.55 -52.97 50.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.72 -51.11 69.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.414 0.286 . . . . 0.0 110.561 -172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.01 -52.73 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -55.37 -52.51 63.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.832 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -41.32 84.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -177.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -52.94 -50.02 64.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.608 0.363 . . . . 0.0 110.177 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -73.27 -47.17 45.18 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.622 0.725 . . . . 0.0 111.568 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.9 t -61.38 -23.55 65.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.709 1.204 . . . . 0.0 113.028 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.52 -23.97 77.18 Favored Glycine 0 CA--C 1.528 0.879 0 O-C-N 121.551 -0.718 . . . . 0.0 111.524 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -78.9 -54.43 6.05 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.123 0.962 . . . . 0.0 111.646 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -138.83 104.61 5.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.97 -148.54 20.33 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 -169.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -149.38 51.94 0.95 Allowed 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.891 0.845 . . . . 0.0 109.575 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 70.85 -35.76 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.248 1.419 . . . . 0.0 114.643 174.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -110.15 12.32 23.47 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.903 1.681 . . . . 0.0 111.641 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -142.13 118.82 11.06 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.339 1.856 . . . . 0.0 110.742 -169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.26 117.11 30.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.155 1.343 . . . . 0.0 110.385 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -80.72 160.78 24.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -52.71 -38.76 61.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -169.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -50.83 65.87 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.65 0.78 . . . . 0.0 110.296 172.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -72.5 -45.76 57.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.203 0.601 . . . . 0.0 109.55 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.44 -48.79 71.31 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.993 1.317 . . . . 0.0 108.801 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.99 -62.15 1.9 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.29 -42.45 98.68 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.097 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.68 -55.9 16.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.922 1.289 . . . . 0.0 110.284 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.16 -45.95 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.193 0.906 . . . . 0.0 110.023 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -56.19 -51.96 66.15 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.231 0.923 . . . . 0.0 110.437 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.69 -47.72 85.02 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.027 1.331 . . . . 0.0 110.767 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -88.72 -43.5 11.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -170.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.5 48.52 1.61 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -67.7 -25.4 65.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.33 1.452 . . . . 0.0 112.598 -170.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.73 -41.13 5.75 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.286 1.034 . . . . 0.0 110.166 171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.13 -47.32 81.43 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.688 1.195 . . . . 0.0 111.92 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.97 158.44 23.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.025 0.93 . . . . 0.0 111.021 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -82.69 158.56 22.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -48.67 117.94 2.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.922 1.289 . . . . 0.0 110.983 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 mt -88.48 62.73 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 124.316 1.047 . . . . 0.0 109.133 -169.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -51.35 -53.87 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.776 1.63 . . . . 0.0 112.474 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.48 104.68 3.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.02 0.928 . . . . 0.0 111.325 -169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -53.88 -32.33 52.91 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.942 0.897 . . . . 0.0 111.926 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.25 -39.22 75.13 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.232 -0.917 . . . . 0.0 109.677 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.45 -40.24 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.368 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -58.03 -44.61 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 120.089 1.313 . . . . 0.0 109.81 176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.1 -48.99 77.26 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.638 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.45 -48.75 80.46 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.694 -0.628 . . . . 0.0 111.6 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 m -64.1 -35.09 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 119.042 0.837 . . . . 0.0 110.721 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -67.43 -49.68 62.66 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 118.33 -1.348 . . . . 0.0 110.614 169.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.45 -40.71 62.57 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.6 m -54.36 -39.31 67.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.727 1.611 . . . . 0.0 110.583 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.97 -10.15 18.33 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 124.052 0.941 . . . . 0.0 113.244 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -71.88 72.61 0.83 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.892 0.877 . . . . 0.0 112.39 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 74.4 p -43.24 -42.14 4.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.817 2.047 . . . . 0.0 110.84 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.51 -15.34 61.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.881 0.873 . . . . 0.0 111.806 -174.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.91 41.02 27.94 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.325 0.964 . . . . 0.0 111.794 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.63 -5.33 12.17 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.075 0.95 . . . . 0.0 111.289 -169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.92 10.79 85.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 121.803 -0.561 . . . . 0.0 112.187 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.93 133.95 25.66 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.8 135.26 34.28 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.257 0.623 . . . . 0.0 109.574 -170.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.15 156.95 38.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.375 0.27 . . . . 0.0 110.386 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -48.45 -39.76 23.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.026 174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -52.89 -49.21 66.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.372 0.669 . . . . 0.0 111.807 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.69 -40.43 76.36 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.488 -0.758 . . . . 0.0 109.849 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -54.9 -46.26 74.82 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 122.087 -0.383 . . . . 0.0 110.478 169.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -38.98 87.05 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 121.646 -0.659 . . . . 0.0 111.448 177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.39 95.25 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.986 -0.446 . . . . 0.0 110.877 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.03 -52.11 66.79 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 109.694 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.03 -46.56 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.662 0.785 . . . . 0.0 109.275 174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.91 63.53 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 118.984 0.811 . . . . 0.0 111.52 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 15.3 ptp -60.74 -48.02 83.68 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.762 0.71 . . . . 0.0 110.54 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 14.6 mm -57.23 -51.17 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.951 0.9 . . . . 0.0 109.625 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 7' ' ' VAL . 62.4 m -62.81 -43.02 99.9 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.921 1.288 . . . . 0.0 110.282 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.6 m -60.52 -47.25 87.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.366 0.53 . . . . 0.0 110.101 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.54 88.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.902 -0.499 . . . . 0.0 110.678 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.6 t -59.62 -48.98 79.52 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 122.268 -0.27 . . . . 0.0 110.585 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -51.99 -56.7 12.61 Favored 'General case' 0 CA--C 1.523 -0.084 0 C-N-CA 124.703 1.201 . . . . 0.0 110.186 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -55.9 -49.75 72.58 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.02 -49.05 78.98 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.979 0.895 . . . . 0.0 110.64 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -69.73 -36.27 75.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.305 1.442 . . . . 0.0 110.631 -173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -70.99 -59.98 2.48 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -82.33 70.59 9.3 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.972 -179.144 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.709 0.29 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 74.08 3.95 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.24 164.24 26.07 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.236 0.615 . . . . 0.0 109.951 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.05 51.95 1.22 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.533 0.733 . . . . 0.0 109.809 177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -77.37 -21.58 53.04 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.744 0.818 . . . . 0.0 111.631 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 36.3 m -75.54 65.97 1.84 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.228 1.011 . . . . 0.0 112.385 -172.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.52 41.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.109 0.964 . . . . 0.0 111.014 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -70.45 47.6 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.814 1.646 . . . . 0.0 112.189 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.74 170.24 16.93 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.29 1.036 . . . . 0.0 110.028 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -78.51 60.02 2.55 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.487 0.715 . . . . 0.0 111.292 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -50.4 -31.09 13.94 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.143 1.377 . . . . 0.0 110.63 172.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.36 -42.85 3.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.353 1.461 . . . . 0.0 111.596 173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 13.5 m -47.23 -39.06 13.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.16 0.984 . . . . 0.0 112.067 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -48.35 -36.69 14.97 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.42 1.088 . . . . 0.0 111.634 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.34 -48.06 3.79 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.579 1.152 . . . . 0.0 109.202 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 mt -60.64 -20.82 61.81 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.38 -175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -43.63 -45.16 6.72 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.325 0.966 . . . . 0.0 110.923 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.2 -42.77 99.36 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 122.12 -0.362 . . . . 0.0 110.058 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.15 -48.62 80.95 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -55.85 -43.37 76.99 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -60.05 -48.05 83.31 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -65.25 -36.67 84.84 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.837 -0.54 . . . . 0.0 111.745 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.66 -37.49 87.52 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -42.74 -40.93 4.17 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.628 1.585 . . . . 0.0 114.341 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -35.43 80.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.2 1.0 . . . . 0.0 111.563 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.468 -1.73 . . . . 0.0 111.464 -176.58 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -141.67 162.65 34.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 60.7 tp -153.48 160.1 42.46 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.49 88.53 0.92 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . 0.477 ' H ' ' NE ' ' D' ' 66' ' ' ARG . 0.1 OUTLIER -58.33 177.69 0.12 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.517 1.927 . . . . 0.0 112.771 -177.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 6.2 p -74.12 51.98 0.44 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.073 1.749 . . . . 0.0 113.895 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.81 71.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -79.14 46.73 0.73 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.921 0.888 . . . . 0.0 111.314 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 62.8 -66.39 0.09 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.411 1.884 . . . . 0.0 112.487 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 73.8 -65.17 0.36 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.575 1.95 . . . . 0.0 110.836 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -52.99 -47.85 67.92 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.237 1.815 . . . . 0.0 112.346 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -68.72 -55.03 12.67 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.753 0.787 . . . . 0.0 109.59 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.4 -39.42 72.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 112.716 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.3 -28.81 20.46 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.133 0.879 . . . . 0.0 112.425 179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.49 -53.32 3.13 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.123 0.419 . . . . 0.0 109.975 173.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 mt -71.39 -14.19 62.09 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -45.29 22.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.826 1.648 . . . . 0.0 111.779 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . 0.405 HD12 ' N ' ' D' ' 80' ' ' LYS . 0.7 OUTLIER -67.61 -30.3 69.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.623 -0.673 . . . . 0.0 112.515 177.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . 0.405 ' N ' HD12 ' D' ' 79' ' ' LEU . 24.0 tptm -67.81 -48.39 66.39 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -53.1 -44.87 67.94 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -60.94 -46.88 88.9 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.332 -0.23 . . . . 0.0 111.048 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -61.91 -36.44 81.35 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.821 -0.549 . . . . 0.0 111.583 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.27 -40.46 67.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.676 0.671 . . . . 0.0 109.949 171.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.73 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 124.668 1.127 . . . . 0.0 111.765 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.24 -21.62 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.029 0.414 . . . . 0.0 111.772 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.139 0.976 . . . . 0.0 110.88 -176.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.41 0.624 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -52.83 -50.54 63.52 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.417 1.087 . . . . 0.0 110.833 -171.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.91 -40.62 93.8 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.628 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.95 -46.05 88.97 Favored 'General case' 0 C--O 1.227 -0.102 0 CA-C-N 118.551 0.614 . . . . 0.0 109.508 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -60.5 -53.21 60.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -49.36 62.79 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.638 0.733 . . . . 0.0 111.128 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.5 t -59.33 -55.4 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.696 1.198 . . . . 0.0 111.258 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -62.56 -34.13 63.36 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.119 0 O-C-N 121.354 -0.841 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.32 -49.91 74.62 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.633 0.651 . . . . 0.0 110.472 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mp -55.1 -52.4 63.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.053 0.842 . . . . 0.0 110.478 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.72 -53.05 52.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.71 -52.06 62.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.109 0.564 . . . . 0.0 111.068 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.8 t -57.4 -50.09 78.07 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -50.89 -51.53 50.84 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -58.59 -39.09 79.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.547 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -54.26 -46.4 72.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 119.313 0.961 . . . . 0.0 110.355 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -73.76 -50.89 18.46 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.768 0.794 . . . . 0.0 111.733 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.5 m -62.24 -23.9 66.94 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.306 -0.871 . . . . 0.0 113.283 -174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.59 -24.84 72.67 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 121.19 -0.944 . . . . 0.0 110.79 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 -80.09 -53.92 6.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 117.413 0.607 . . . . 0.0 109.998 -170.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -143.69 104.34 4.18 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.78 36.52 0.4 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.293 1.425 . . . . 0.0 112.103 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 34.09 58.11 0.61 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 127.32 2.248 . . . . 0.0 113.987 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 72.94 -43.02 0.55 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.865 1.666 . . . . 0.0 113.967 169.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -98.43 -8.63 26.48 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.196 0.998 . . . . 0.0 113.112 -171.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -133.64 157.09 46.63 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 119.228 0.922 . . . . 0.0 112.573 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.3 mt -115.07 125.45 53.54 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.188 1.395 . . . . 0.0 109.393 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -72.77 175.62 6.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 168.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -54.29 -42.1 69.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.881 -0.512 . . . . 0.0 110.832 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.01 -52.8 64.19 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.938 0.895 . . . . 0.0 110.233 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -66.74 -45.47 78.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.546 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.77 -49.4 73.26 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.305 1.442 . . . . 0.0 109.526 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -54.82 -60.67 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -64.85 -39.39 93.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.096 -172.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.82 -55.21 21.29 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.395 1.078 . . . . 0.0 109.939 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.0 mt -64.36 -51.31 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.816 0.735 . . . . 0.0 109.867 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -50.31 -52.03 40.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.96 0.504 . . . . 0.0 111.254 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -68.73 -46.5 68.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.63 1.172 . . . . 0.0 110.951 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -88.35 -42.85 11.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -169.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.74 19.51 11.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.696 0.68 . . . . 0.0 112.037 -169.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -49.7 -29.94 8.34 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -169.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -100.35 -13.91 18.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.347 1.059 . . . . 0.0 111.76 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -88.62 -57.57 2.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 126.048 1.739 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -115.84 151.74 34.67 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 125.823 1.649 . . . . 0.0 107.671 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.03 166.52 22.06 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.308 172.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.56 138.89 54.73 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.457 0.703 . . . . 0.0 109.483 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.51 104.83 17.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -91.42 -58.31 2.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.795 -169.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -69.76 116.75 10.51 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.085 -168.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -51.64 -30.87 23.14 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.508 0.723 . . . . 0.0 112.358 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.95 -44.6 82.7 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.482 -0.762 . . . . 0.0 109.943 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.05 -47.6 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.76 -45.23 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.11 -50.48 72.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.0 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -59.18 -49.64 77.1 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.502 0.592 . . . . 0.0 110.703 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.5 -42.89 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 ptm -59.98 -50.8 72.31 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.447 1.021 . . . . 0.0 110.26 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -53.25 -43.96 67.76 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 124.532 1.133 . . . . 0.0 110.766 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.4 m -55.18 -32.9 62.54 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.209 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -89.81 -36.72 14.95 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.551 0.614 . . . . 0.0 112.369 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -47.76 67.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 129.804 3.242 . . . . 0.0 115.519 -169.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -67.49 -20.68 65.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.07 1.348 . . . . 0.0 110.582 174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -71.26 -16.76 62.5 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.796 172.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.13 31.58 26.53 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.026 0.822 . . . . 0.0 112.701 -174.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -118.7 14.91 13.56 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.115 0.958 . . . . 0.0 110.772 -173.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.36 -71.48 1.02 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -169.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -54.75 131.12 43.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 109.66 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 m -98.6 122.17 41.47 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.92 167.58 21.61 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.342 0.591 . . . . 0.0 109.708 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -47.84 -36.42 11.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.875 0.87 . . . . 0.0 111.794 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.7 -50.09 75.19 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mp0 -58.55 -50.33 74.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.121 0.969 . . . . 0.0 109.357 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -50.97 -55.41 17.45 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.162 176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 mtp -59.81 -40.85 89.8 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.892 -0.505 . . . . 0.0 112.114 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.97 87.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.365 0.529 . . . . 0.0 110.396 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -60.47 -52.46 65.12 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.8 t -52.07 -42.35 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 122.68 0.392 . . . . 0.0 110.534 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.91 63.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.915 0.78 . . . . 0.0 111.383 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -65.47 -40.97 93.79 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.119 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.58 -52.2 56.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 121.03 0.443 . . . . 0.0 109.927 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.5 m -59.42 -48.23 82.42 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.859 0.864 . . . . 0.0 110.01 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -56.52 -49.35 75.0 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.17 86.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.074 -0.391 . . . . 0.0 110.541 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.3 t -54.04 -54.78 34.47 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.573 -0.704 . . . . 0.0 110.144 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -51.18 -52.41 44.56 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 111.567 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -50.55 -30.68 13.7 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.441 1.096 . . . . 0.0 113.008 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -115.04 -15.53 11.73 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.951 0.341 . . . . 0.0 111.773 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -90.23 -37.16 14.31 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.05 0.94 . . . . 0.0 111.024 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.98 -63.74 1.26 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -74.74 73.6 2.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 169.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.25 1.095 0 C-N-CA 125.164 1.386 . . . . 0.0 109.288 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -50.98 -53.68 31.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.177 1.391 . . . . 0.0 111.876 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.31 -43.73 96.98 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.991 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -57.56 -43.29 84.38 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.264 0.483 . . . . 0.0 110.43 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -59.34 -54.39 47.29 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -50.29 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.248 1.019 . . . . 0.0 110.887 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.2 t -56.81 -55.84 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.474 1.11 . . . . 0.0 111.247 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -65.35 -32.91 60.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.564 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.63 80.91 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.555 0.616 . . . . 0.0 110.351 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -54.64 -52.02 63.58 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 118.425 0.557 . . . . 0.0 110.078 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.62 -51.2 75.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.65 -51.5 68.21 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.05 0.54 . . . . 0.0 111.31 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.51 -50.28 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -50.85 -50.52 56.57 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.413 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -46.86 69.62 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.432 -0.795 . . . . 0.0 110.863 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -49.72 -49.47 47.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.07 0.85 . . . . 0.0 110.726 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.92 -56.17 5.28 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 51.7 p -61.71 -25.27 67.31 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.221 -0.925 . . . . 0.0 112.544 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.13 61.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -76.26 -53.71 7.84 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 117.976 0.888 . . . . 0.0 110.599 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -140.51 104.72 4.82 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.99 0.516 . . . . 0.0 110.024 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.69 38.26 0.63 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.456 1.979 . . . . 0.0 112.004 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 22.53 61.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.417 2.687 . . . . 0.0 114.688 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mttm 67.11 -5.33 0.71 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -122.2 -23.16 5.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.665 1.12 . . . . 0.0 113.235 -169.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -130.67 158.05 41.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.797 0.839 . . . . 0.0 110.077 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.4 mt -110.09 114.61 28.26 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.008 0.923 . . . . 0.0 108.518 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -71.54 163.09 28.38 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 169.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -53.47 -39.98 64.92 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.144 0.883 . . . . 0.0 111.528 -171.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -42.07 68.92 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 127.376 2.27 . . . . 0.0 111.286 176.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -80.51 -45.53 17.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 109.549 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.6 -48.82 71.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.286 1.034 . . . . 0.0 109.08 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.39 -59.01 5.41 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.131 -0.627 . . . . 0.0 111.093 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.86 -39.45 94.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.558 -0.258 . . . . 0.0 110.32 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -52.06 -55.07 22.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.505 0.722 . . . . 0.0 109.625 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mm -63.77 -56.16 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 118.7 0.682 . . . . 0.0 109.559 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -53.17 -48.61 67.88 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.304 0.242 . . . . 0.0 110.804 -174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -76.39 -55.91 5.11 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.4 -35.63 60.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 121.704 -0.623 . . . . 0.0 111.54 -169.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.77 9.36 37.44 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.884 0.874 . . . . 0.0 111.626 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -44.37 -50.9 8.98 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.032 1.733 . . . . 0.0 113.663 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -42.77 99.76 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.207 -0.308 . . . . 0.0 110.485 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -78.41 -53.0 7.73 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.306 0.643 . . . . 0.0 111.07 -173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.52 137.27 48.43 Favored 'General case' 0 CA--C 1.524 -0.034 0 C-N-CA 124.114 0.965 . . . . 0.0 110.256 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.67 149.8 38.44 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.05 143.57 48.06 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.136 0.574 . . . . 0.0 110.643 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mt -89.01 -50.41 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 124.617 1.167 . . . . 0.0 110.443 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt 68.42 -65.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.068 1.747 . . . . 0.0 112.357 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -67.99 105.23 1.96 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.709 0.803 . . . . 0.0 112.095 -169.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -38.07 -49.14 1.28 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.444 1.897 . . . . 0.0 111.992 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.64 -33.48 72.85 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.234 -0.917 . . . . 0.0 111.976 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.43 -41.99 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 O-C-N 121.673 -0.642 . . . . 0.0 109.566 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -47.87 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -54.81 -49.53 70.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.108 0.563 . . . . 0.0 110.563 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.37 -49.47 77.47 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.582 0.628 . . . . 0.0 111.564 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -63.22 -43.23 98.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.13 0 C-N-CA 119.754 -0.779 . . . . 0.0 109.406 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.7 ptm -58.42 -49.96 75.4 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.315 0.961 . . . . 0.0 109.999 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.7 -44.46 66.32 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.306 1.042 . . . . 0.0 110.028 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 97.8 m -56.25 -33.2 65.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.59 0.756 . . . . 0.0 111.737 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.64 -24.62 17.83 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.064 0.847 . . . . 0.0 112.924 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.55 69.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.255 1.822 . . . . 0.0 114.548 -169.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 96.5 p -48.58 -37.04 16.92 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 125.731 1.613 . . . . 0.0 111.096 170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.34 -15.3 62.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.579 0.752 . . . . 0.0 111.159 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.22 34.6 32.93 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 118.619 0.645 . . . . 0.0 111.614 -174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -117.17 10.24 13.77 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.789 1.236 . . . . 0.0 110.184 -172.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.18 -69.95 1.59 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 -169.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -55.77 127.78 31.74 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.237 1.015 . . . . 0.0 110.623 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 4.1 m -86.59 123.42 31.77 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.41 159.58 32.95 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.235 0.47 . . . . 0.0 110.572 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -47.09 -46.11 22.49 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 122.849 0.46 . . . . 0.0 111.288 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -58.48 -40.28 82.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.443 0.565 . . . . 0.0 111.497 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -68.53 -42.62 78.22 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 121.514 -0.741 . . . . 0.0 110.082 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.62 -49.7 64.58 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.056 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -44.29 96.96 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.627 0.771 . . . . 0.0 110.944 -178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.07 88.24 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.638 -0.664 . . . . 0.0 110.2 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.53 -50.75 72.32 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 122.062 -0.398 . . . . 0.0 110.082 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 t -51.39 -41.4 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.028 0.531 . . . . 0.0 110.257 174.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.11 61.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.145 0.884 . . . . 0.0 111.287 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -65.03 -39.8 93.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.809 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.84 -53.2 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.365 0.603 . . . . 0.0 109.978 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 89.1 m -58.2 -46.23 86.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.202 1.001 . . . . 0.0 109.96 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -57.22 -51.57 68.81 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.998 0.363 . . . . 0.0 110.409 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.7 81.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -60.77 -56.63 18.89 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.392 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -41.39 -47.19 3.53 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 127.06 2.144 . . . . 0.0 111.209 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.14 -15.13 0.78 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.34 -35.23 12.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.397 1.453 . . . . 0.0 110.206 169.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.0 -26.71 60.72 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 112.448 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -56.05 -37.44 69.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.673 0.67 . . . . 0.0 110.053 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -124.06 72.18 1.16 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.383 1.473 . . . . 0.0 113.174 -177.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.29 0.09 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.82 108.87 10.79 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.455 1.102 . . . . 0.0 108.825 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -50.59 135.67 22.57 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.486 1.114 . . . . 0.0 110.729 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.1 mtm-85 66.83 -60.25 0.35 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.449 1.9 . . . . 0.0 112.03 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -51.24 -42.56 61.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.987 0.915 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -58.38 -35.14 71.54 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.629 -0.67 . . . . 0.0 112.003 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.55 -44.62 42.44 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.422 0.689 . . . . 0.0 109.465 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.2 -27.95 66.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.007 0.523 . . . . 0.0 111.07 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.48 -7.13 54.47 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.96 0.904 . . . . 0.0 112.773 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -76.33 68.09 2.66 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 119.905 1.23 . . . . 0.0 110.615 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -44.36 -48.93 9.75 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.95 2.1 . . . . 0.0 111.784 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -43.93 -31.14 0.81 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.004 1.722 . . . . 0.0 113.359 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.0 p -120.37 10.51 11.24 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.274 1.83 . . . . 0.0 112.639 -176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -66.96 -30.26 70.34 Favored 'General case' 0 C--N 1.34 0.187 0 O-C-N 120.528 -1.358 . . . . 0.0 112.223 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -54.68 -36.79 65.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.821 -0.549 . . . . 0.0 110.312 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.78 -1.42 57.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.291 1.437 . . . . 0.0 111.099 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 120.108 1.322 . . . . 0.0 109.833 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.95 -56.23 24.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.617 0.767 . . . . 0.0 109.323 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -52.3 -49.59 63.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.345 0.658 . . . . 0.0 110.741 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -54.56 -46.75 73.72 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.0 0.92 . . . . 0.0 110.289 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -62.04 -46.86 87.31 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.777 -0.577 . . . . 0.0 110.679 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -59.95 -37.91 80.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.65 -38.75 84.25 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.799 -0.563 . . . . 0.0 110.478 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.05 -37.45 79.61 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.616 0.627 . . . . 0.0 112.186 173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 tt -41.1 -58.99 1.61 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.975 1.71 . . . . 0.0 111.79 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.888 -1.529 . . . . 0.0 109.441 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.529 0.204 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 63.47 -75.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.124 1.77 . . . . 0.0 113.051 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.27 -36.98 64.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.781 1.232 . . . . 0.0 109.972 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -36.5 -39.56 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.05 2.14 . . . . 0.0 113.165 172.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -47.54 -39.64 16.9 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.31 0.644 . . . . 0.0 111.666 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -58.58 -36.49 74.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.439 1.096 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.65 -34.67 17.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.244 0.618 . . . . 0.0 110.528 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.27 126.57 0.8 Allowed 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.132 0.973 . . . . 0.0 109.412 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.33 3.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -79.3 39.58 0.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.28 -41.89 89.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.642 -0.661 . . . . 0.0 110.097 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -19.07 34.73 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -89.61 -15.55 32.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.816 0.735 . . . . 0.0 111.07 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.89 -50.9 25.19 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 124.423 1.089 . . . . 0.0 111.633 -169.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.96 76.95 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.385 0.674 . . . . 0.0 110.536 -176.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -82.7 -23.27 34.18 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.142 0.977 . . . . 0.0 111.143 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -45.4 -44.24 11.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.451 1.1 . . . . 0.0 110.298 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 61.9 mt -58.84 -42.86 90.31 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.639 0.775 . . . . 0.0 111.593 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -61.27 -50.91 71.11 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -53.13 -44.86 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m -60.51 -54.39 46.08 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.066 0.546 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -59.94 -36.47 77.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.045 -0.41 . . . . 0.0 111.656 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.25 -39.23 75.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.52 -38.31 62.81 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.46 -6.41 30.23 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.934 -1.508 . . . . 0.0 112.477 -172.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -85.94 -43.14 13.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.039 1.336 . . . . 0.0 111.661 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -56.08 -45.78 79.25 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 122.058 -0.401 . . . . 0.0 110.966 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -55.15 -35.23 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -67.18 -49.11 65.88 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.673 -0.642 . . . . 0.0 109.653 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.91 -48.3 64.24 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 174.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 t -54.27 -55.57 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 124.971 1.308 . . . . 0.0 110.849 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -61.71 -32.13 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.006 -1.078 . . . . 0.0 111.416 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.53 77.28 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.217 0.917 . . . . 0.0 111.17 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.63 -50.08 68.97 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.653 0.66 . . . . 0.0 109.66 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.11 -52.81 56.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.208 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.17 -49.93 75.3 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.026 0.531 . . . . 0.0 111.042 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.11 -49.73 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.336 0.655 . . . . 0.0 109.601 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.82 -52.23 63.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 122.02 -0.425 . . . . 0.0 110.333 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -55.28 -51.25 67.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.707 1.203 . . . . 0.0 110.472 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -63.63 -44.64 93.31 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.178 -0.609 . . . . 0.0 112.087 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.76 -52.43 64.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.604 0.638 . . . . 0.0 110.046 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -29.34 61.93 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.58 1.152 . . . . 0.0 111.94 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.25 -35.71 92.3 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -68.85 -51.75 37.12 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 117.536 0.668 . . . . 0.0 109.676 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -141.28 136.97 32.13 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.353 0.261 . . . . 0.0 110.376 171.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.4 29.04 10.55 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.749 1.166 . . . . 0.0 112.282 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 33.94 64.08 0.37 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.694 2.397 . . . . 0.0 115.24 169.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 69.28 -32.9 0.24 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -101.05 -17.26 16.8 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.354 1.062 . . . . 0.0 112.959 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -132.54 147.94 52.37 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 120.179 1.354 . . . . 0.0 113.239 -175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.72 130.35 51.21 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -85.33 170.6 12.6 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.1 -36.6 63.37 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.896 0.478 . . . . 0.0 112.088 -177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -62.1 -52.85 62.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 122.738 0.415 . . . . 0.0 111.044 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -66.58 -45.69 78.43 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.67 -48.61 72.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.664 1.585 . . . . 0.0 109.264 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -56.0 -59.91 4.23 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.473 0.709 . . . . 0.0 111.327 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -64.31 -42.06 96.53 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -171.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.41 -53.18 61.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.228 0.611 . . . . 0.0 109.992 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.97 -52.62 58.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.718 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -55.95 -60.74 3.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 120.129 1.331 . . . . 0.0 109.772 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.17 -39.44 75.29 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 111.057 -170.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -120.43 32.62 5.92 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tp -153.16 -8.43 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 117.769 -1.11 . . . . 0.0 113.273 172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.3 m -42.28 -41.16 2.68 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.017 1.28 . . . . 0.0 114.089 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -75.18 -8.8 57.58 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.62 -63.53 1.33 Allowed 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -92.83 118.93 31.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.03 1.332 . . . . 0.0 108.419 -169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -60.65 152.95 25.13 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.378 0.671 . . . . 0.0 110.612 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -41.21 128.38 2.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.844 1.258 . . . . 0.0 111.841 -173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.98 -60.62 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.814 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 64.1 -70.76 0.07 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.039 1.336 . . . . 0.0 111.629 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -75.73 87.74 2.78 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.724 1.21 . . . . 0.0 108.703 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -43.34 -31.31 0.63 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.262 1.425 . . . . 0.0 113.503 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.385 -0.822 . . . . 0.0 110.253 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.31 -41.13 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 C-N-CA 123.584 0.754 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 m -62.48 -46.72 95.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 119.123 0.874 . . . . 0.0 108.973 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.49 -48.76 78.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.513 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.43 -51.16 70.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.304 0.242 . . . . 0.0 111.404 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -69.73 -37.15 73.07 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 CA-C-N 118.578 0.626 . . . . 0.0 110.796 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.2 ptm -68.06 -47.08 69.3 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.63 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.18 -43.73 67.33 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.412 1.085 . . . . 0.0 110.24 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -53.8 -33.44 56.04 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.487 1.115 . . . . 0.0 110.763 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.26 6.55 32.96 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.207 1.003 . . . . 0.0 113.035 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -77.15 67.4 3.12 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.998 0.817 . . . . 0.0 111.916 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.6 m -59.89 -22.72 62.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.219 0.608 . . . . 0.0 111.68 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.67 -16.3 61.7 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.426 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.32 36.42 16.54 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.995 0.807 . . . . 0.0 112.163 -172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -117.94 7.9 12.44 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.671 0.788 . . . . 0.0 110.509 -171.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.52 -67.54 1.9 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 -172.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.03 141.71 58.66 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 109.532 170.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -111.9 132.87 54.46 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 124.245 1.018 . . . . 0.0 110.113 -169.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -77.86 173.12 12.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -49.53 -48.3 48.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.27 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -55.56 -48.12 75.29 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.629 0.649 . . . . 0.0 111.461 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.47 -44.48 94.29 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.585 0.629 . . . . 0.0 110.26 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -52.55 -46.72 66.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.179 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -42.74 94.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.981 -0.449 . . . . 0.0 110.851 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.95 91.33 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.851 -0.53 . . . . 0.0 110.903 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.19 -52.96 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.509 0.671 . . . . 0.0 109.449 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -51.64 -45.02 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.285 0.634 . . . . 0.0 109.874 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.4 -52.49 65.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.227 0.611 . . . . 0.0 111.835 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.6 ptp -58.29 -47.63 83.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.568 0.622 . . . . 0.0 110.89 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mm -60.83 -50.88 78.72 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.5 -43.75 98.3 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -59.8 -49.8 76.28 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.466 0.575 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.42 -45.58 80.63 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.279 -0.263 . . . . 0.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.27 -46.3 90.93 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.788 -0.57 . . . . 0.0 111.222 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -55.94 -44.77 78.69 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.411 -0.806 . . . . 0.0 110.909 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.74 -46.57 89.03 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.13 -27.27 68.82 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 112.386 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -55.9 -24.35 36.86 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.853 1.661 . . . . 0.0 113.52 -168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.99 -44.62 70.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.223 0.465 . . . . 0.0 110.094 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -77.56 71.45 4.04 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 169.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.314 -1.327 . . . . 0.0 110.227 -174.746 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -52.77 63.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.644 0.378 . . . . 0.0 111.871 -170.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -55.89 -49.26 73.87 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.063 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -54.3 -44.49 72.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.847 0.459 . . . . 0.0 110.727 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -61.51 -52.89 62.6 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.493 0.717 . . . . 0.0 109.576 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.19 -50.16 62.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.589 0.709 . . . . 0.0 110.613 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 t -57.01 -55.37 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 125.19 1.396 . . . . 0.0 111.116 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.49 -37.67 78.33 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 O-C-N 121.166 -0.959 . . . . 0.0 110.664 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -46.99 82.53 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.787 0.722 . . . . 0.0 110.647 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.837 0.289 . . . . 0.0 110.923 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.97 -50.92 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.41 -53.78 51.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.766 0.826 . . . . 0.0 110.786 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.6 -57.85 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.18 -52.81 62.12 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.011 -172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -65.51 -34.27 77.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.886 -170.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.57 -52.08 65.89 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.78 -55.95 27.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.438 0.637 . . . . 0.0 109.408 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.1 m -54.13 -39.03 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.767 1.227 . . . . 0.0 111.755 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.96 76.73 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.277 -0.735 . . . . 0.0 112.215 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -69.64 -48.04 61.29 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.684 1.242 . . . . 0.0 110.884 -173.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -141.37 118.45 11.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.957 0.503 . . . . 0.0 110.5 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.85 -100.79 0.52 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 106.977 -2.449 . . . . 0.0 106.977 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -163.76 163.03 24.18 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -45.29 -36.23 3.92 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.182 0.901 . . . . 0.0 113.013 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -101.11 4.23 41.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.039 0.936 . . . . 0.0 112.985 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -139.37 123.66 18.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.051 1.341 . . . . 0.0 112.018 -169.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.92 122.09 32.63 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.139 0.976 . . . . 0.0 111.509 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 tttm -84.97 161.08 19.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -37.35 64.43 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.878 0.763 . . . . 0.0 112.846 -170.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.25 -45.41 62.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.372 1.069 . . . . 0.0 110.327 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -79.79 -47.83 14.58 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.043 0.937 . . . . 0.0 109.935 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.43 -41.07 68.95 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.321 0.649 . . . . 0.0 109.675 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -54.71 -63.67 1.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.138 0.575 . . . . 0.0 110.403 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.76 -35.53 80.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.015 -0.428 . . . . 0.0 110.09 -173.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.456 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.9 tm? -52.75 -56.43 15.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.583 1.153 . . . . 0.0 108.766 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -67.26 -51.09 56.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.439 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -49.91 -52.22 34.74 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.035 0.445 . . . . 0.0 110.746 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -77.75 -55.63 5.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.948 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.86 -25.08 63.55 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -110.27 37.32 2.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.495 0.718 . . . . 0.0 109.487 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 55.4 p -57.83 -31.78 66.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.29 0.95 . . . . 0.0 112.752 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -91.68 -45.22 8.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.7 -47.8 82.02 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -118.33 164.6 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.356 1.462 . . . . 0.0 110.093 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.34 169.58 17.96 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.174 0.511 . . . . 0.0 110.267 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.8 137.23 58.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.202 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.66 70.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.28 1.832 . . . . 0.0 106.957 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -74.13 -33.22 63.47 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.989 -176.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -73.37 101.17 3.38 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.874 -0.516 . . . . 0.0 110.503 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -37.41 -49.05 0.99 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.499 1.519 . . . . 0.0 112.252 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -58.08 -34.49 70.21 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 122.137 -0.352 . . . . 0.0 111.733 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.5 -48.82 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -43.43 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -55.54 -44.79 77.05 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.519 0.728 . . . . 0.0 110.076 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -59.88 -48.8 80.22 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.996 -0.526 . . . . 0.0 110.564 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.278 3.7 m -65.44 -43.39 94.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 118.986 -1.086 . . . . 0.0 111.081 -177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ptp -60.01 -46.05 90.76 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 118.021 -1.472 . . . . 0.0 110.924 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.26 -45.75 68.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.367 0.985 . . . . 0.0 110.681 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 91.3 m -56.78 -45.89 81.86 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.562 1.145 . . . . 0.0 110.72 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -80.89 -37.1 30.3 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.59 69.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 130.601 3.56 . . . . 0.0 114.429 -169.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -65.04 -25.52 67.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.251 1.42 . . . . 0.0 110.751 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -14.2 61.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 119.154 -0.451 . . . . 0.0 111.406 174.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.99 37.34 58.03 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.802 0.728 . . . . 0.0 111.336 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -117.41 7.12 12.71 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.295 1.038 . . . . 0.0 110.302 -169.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.97 -69.65 1.02 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -171.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.03 129.39 41.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.44 124.24 31.8 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -172.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 160.51 32.36 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.792 0.33 . . . . 0.0 110.147 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -48.41 -39.54 22.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.576 173.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -53.43 -52.55 59.05 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.914 0.486 . . . . 0.0 112.116 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.79 -50.78 72.11 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.81 0.815 . . . . 0.0 110.62 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -50.91 -52.69 39.62 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.855 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 15.8 mtp -62.61 -35.31 79.16 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 119.082 -0.485 . . . . 0.0 112.132 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.0 97.43 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.986 0.812 . . . . 0.0 110.737 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -62.35 -52.18 64.67 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.6 t -51.89 -41.94 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.96 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.16 66.08 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.901 0.773 . . . . 0.0 111.433 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.6 ptp -57.97 -46.74 84.67 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.059 0.845 . . . . 0.0 110.408 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.05 -54.9 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -59.99 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.272 1.029 . . . . 0.0 109.868 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.9 m -59.31 -43.49 92.64 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.746 0.418 . . . . 0.0 110.254 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.28 90.98 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.238 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.33 -27.38 69.01 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.415 -0.803 . . . . 0.0 111.88 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -35.65 70.09 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.141 -0.974 . . . . 0.0 109.889 172.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.85 -47.73 61.57 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 170.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.41 -11.97 3.38 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -57.28 -36.62 71.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -78.97 72.53 5.49 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 168.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -61.49 80.59 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.941 1.296 . . . . 0.0 114.024 -169.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 126.432 1.893 . . . . 0.0 111.857 169.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -73.75 75.45 1.57 Allowed 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 169.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 mt 64.81 -159.29 0.29 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 -168.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 64.7 -72.37 0.07 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.649 1.58 . . . . 0.0 110.827 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 30.66 47.36 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.621 2.768 . . . . 0.0 113.55 170.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -81.02 61.61 4.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -169.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 170.65 19.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.67 1.188 . . . . 0.0 108.638 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -133.5 165.46 24.83 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.86 63.48 1.19 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.568 0.747 . . . . 0.0 110.231 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -60.6 -52.32 65.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.797 0.439 . . . . 0.0 110.447 -172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -53.32 -32.97 51.55 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.025 0.83 . . . . 0.0 111.917 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.22 -10.0 59.68 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.603 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 37.9 p -130.25 -9.06 4.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.089 0.859 . . . . 0.0 113.315 -175.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -48.36 -49.48 34.3 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.164 1.385 . . . . 0.0 112.227 -169.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -32.0 66.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.047 1.339 . . . . 0.0 112.238 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 mt -93.98 1.57 56.25 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.701 0.8 . . . . 0.0 111.651 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.95 -40.08 66.49 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.908 0.776 . . . . 0.0 111.388 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -53.3 -46.9 69.56 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.885 0.766 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.23 -35.04 63.85 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.537 1.135 . . . . 0.0 109.912 -172.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -63.31 -53.77 47.58 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 170.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.7 m -61.26 -40.05 92.64 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.438 0.695 . . . . 0.0 110.372 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -29.99 9.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.668 1.187 . . . . 0.0 112.381 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.35 -27.24 68.37 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.22 0.918 . . . . 0.0 110.475 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.88 -31.41 31.69 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.022 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -1.25 57.99 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.428 1.114 . . . . 0.0 112.009 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.969 178.58 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.4 79.95 3.9 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 71.2 mt -84.17 173.13 11.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -78.17 59.47 2.25 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.585 -0.697 . . . . 0.0 110.642 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 92.9 mtm-85 -77.38 42.09 0.33 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.141 1.376 . . . . 0.0 111.62 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 42.7 m -157.91 33.4 0.26 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.867 1.667 . . . . 0.0 108.965 173.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.97 174.03 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.094 0.558 . . . . 0.0 111.045 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -48.65 -46.77 40.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.211 1.004 . . . . 0.0 111.129 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.09 -26.0 47.81 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.522 1.129 . . . . 0.0 113.143 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -86.75 -52.13 5.69 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.027 0.931 . . . . 0.0 108.745 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -48.21 -33.25 8.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.929 0.892 . . . . 0.0 111.81 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.56 -41.09 1.39 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.328 1.451 . . . . 0.0 111.672 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -52.1 -34.84 45.83 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.88 -20.93 55.89 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.164 -0.96 . . . . 0.0 112.671 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.73 -53.41 2.7 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 175.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.08 -20.34 66.43 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -51.14 -36.04 38.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 119.936 1.244 . . . . 0.0 110.239 169.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.04 -46.41 81.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.043 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -52.33 -53.22 47.27 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.068 0.849 . . . . 0.0 109.882 172.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -54.72 -41.46 70.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.397 0.279 . . . . 0.0 110.426 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -60.9 -55.21 35.72 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.085 0.402 . . . . 0.0 110.613 176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -64.97 -36.01 83.02 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.878 0.763 . . . . 0.0 112.335 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.22 -39.36 92.66 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.728 -0.608 . . . . 0.0 109.786 173.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.87 -28.98 49.54 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.423 1.487 . . . . 0.0 112.983 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.7 -37.35 83.8 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.946 0.873 . . . . 0.0 110.792 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 117.569 -1.205 . . . . 0.0 111.419 -172.258 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.94 -44.06 94.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.893 0.77 . . . . 0.0 109.645 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.71 -44.34 93.75 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 122.137 -0.352 . . . . 0.0 110.204 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.62 -41.97 87.14 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.923 -0.485 . . . . 0.0 110.857 176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -55.55 32.99 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.4 -51.22 48.16 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.6 0.76 . . . . 0.0 110.55 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.4 t -54.84 -55.28 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.287 1.035 . . . . 0.0 111.385 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -63.24 -34.9 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 119.162 0.892 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.22 74.67 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.487 0.585 . . . . 0.0 110.444 174.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.79 -51.44 65.76 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 118.232 0.469 . . . . 0.0 109.811 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.34 -51.56 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 122.786 0.434 . . . . 0.0 110.424 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.82 -50.53 62.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.155 0.582 . . . . 0.0 111.375 -174.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.21 -49.48 71.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -53.96 -52.3 61.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.182 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -52.58 -50.84 62.2 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.693 0.679 . . . . 0.0 109.718 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -54.15 -51.6 63.77 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.855 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -67.89 -55.37 13.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.434 0.635 . . . . 0.0 110.428 -173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.5 p -55.05 -35.75 64.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.432 1.093 . . . . 0.0 111.692 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.72 -31.9 77.02 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-O 119.304 -0.72 . . . . 0.0 112.042 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -67.39 -49.3 64.47 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.549 1.175 . . . . 0.0 110.929 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -140.97 109.31 5.85 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 123.157 0.583 . . . . 0.0 109.431 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 -106.0 0.69 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -165.68 167.66 16.95 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 169.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -60.95 0.5 0.22 Allowed 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -124.67 3.71 8.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.564 1.145 . . . . 0.0 113.428 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -139.71 120.23 14.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.97 1.708 . . . . 0.0 110.434 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.7 mt -93.1 117.66 30.32 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.167 1.387 . . . . 0.0 110.019 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -75.88 167.13 22.44 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.107 0.867 . . . . 0.0 109.361 169.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -53.4 -40.7 65.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 112.464 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 -49.73 64.9 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.358 1.463 . . . . 0.0 110.278 173.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.11 -42.73 55.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.256 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.19 -48.74 75.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -55.24 -61.14 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -57.99 -44.75 87.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.8 tm? -48.65 -55.3 11.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.76 1.624 . . . . 0.0 110.034 174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 98.7 mt -63.73 -52.45 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 119.307 0.958 . . . . 0.0 110.162 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -56.84 -40.38 75.96 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.975 -0.453 . . . . 0.0 111.126 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -82.47 -50.33 8.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.058 1.343 . . . . 0.0 111.248 -174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -92.78 -16.78 24.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp -114.07 17.97 17.45 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.138 0.975 . . . . 0.0 111.291 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -46.53 -45.5 18.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -171.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -78.72 -26.23 44.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.49 0.316 . . . . 0.0 111.14 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.09 -64.83 1.04 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.401 1.081 . . . . 0.0 109.975 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.42 134.12 51.66 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.241 1.017 . . . . 0.0 109.012 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.18 158.41 11.46 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.312 170.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -58.68 147.86 31.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.124 0.488 . . . . 0.0 110.419 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.3 mt -98.6 -55.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.87 -170.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.277 20.7 pttp 56.52 -53.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 129.462 3.105 . . . . 0.0 115.551 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -59.72 98.03 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 126.361 1.864 . . . . 0.0 110.872 -172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.84 -40.03 20.16 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.429 1.091 . . . . 0.0 112.653 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.3 -39.89 80.56 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.747 -0.596 . . . . 0.0 111.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.13 -45.26 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -46.8 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -54.84 -49.2 71.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.434 0.694 . . . . 0.0 110.838 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.5 -49.31 78.28 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 122.578 0.351 . . . . 0.0 110.516 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.6 -42.95 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.597 -0.841 . . . . 0.0 110.008 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ptm -57.27 -48.05 79.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.366 0.985 . . . . 0.0 110.038 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -52.85 -47.9 67.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.79 0.836 . . . . 0.0 110.084 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.3 m -55.48 -39.42 70.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.559 0.744 . . . . 0.0 111.068 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -86.24 -28.27 23.93 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 118.734 0.697 . . . . 0.0 112.781 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -64.39 67.79 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.564 1.946 . . . . 0.0 114.239 -169.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -55.7 -27.23 49.22 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.348 1.059 . . . . 0.0 111.74 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.68 -15.51 61.7 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.007 0.523 . . . . 0.0 111.414 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 35.66 50.13 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 118.658 0.663 . . . . 0.0 111.681 -174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -107.69 3.28 24.5 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.379 1.072 . . . . 0.0 109.983 -176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 -69.21 1.83 Allowed Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 108.147 -1.981 . . . . 0.0 108.147 -169.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -59.59 130.96 49.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.442 1.097 . . . . 0.0 109.168 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.76 128.1 34.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 122.914 0.486 . . . . 0.0 109.977 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.31 159.72 31.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -47.57 -44.96 26.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 173.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.61 -41.37 69.88 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 122.178 -0.326 . . . . 0.0 111.68 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.82 -43.04 66.26 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.23 0.612 . . . . 0.0 109.98 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.72 -54.22 30.69 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -43.08 99.44 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.373 0.269 . . . . 0.0 110.72 -176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.1 -46.16 82.82 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.947 -0.471 . . . . 0.0 110.994 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.82 -52.55 64.6 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -51.7 -41.84 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 123.001 0.52 . . . . 0.0 109.704 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.22 60.66 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 119.041 0.837 . . . . 0.0 111.85 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -64.79 -41.7 95.63 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.172 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -56.18 -49.97 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.439 0.638 . . . . 0.0 109.902 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.402 HG22 ' CE2' ' B' ' 70' ' ' PHE . 52.8 m -59.37 -46.78 87.7 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.162 1.385 . . . . 0.0 110.26 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.0 m -57.71 -52.13 66.69 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.53 -44.75 76.97 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.2 t -57.52 -47.96 80.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.194 175.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.0 -43.23 95.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.004 1.275 . . . . 0.0 111.497 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.49 -43.82 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -45.73 87.97 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.15 0.5 . . . . 0.0 111.836 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -57.48 -24.36 55.37 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 125.651 1.581 . . . . 0.0 112.637 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -45.09 -38.07 4.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.159 0.436 . . . . 0.0 111.451 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -122.65 73.54 1.13 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.059 1.344 . . . . 0.0 108.518 170.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.897 172.069 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -48.61 -54.17 15.63 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.824 0.85 . . . . 0.0 112.761 -169.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -67.24 -50.47 60.52 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.882 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.62 -33.63 71.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.757 0.708 . . . . 0.0 112.335 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.02 -51.73 62.81 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.677 -0.639 . . . . 0.0 110.382 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.63 64.09 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.389 0.676 . . . . 0.0 110.765 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.38 -54.27 36.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.632 0.773 . . . . 0.0 111.27 176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.54 -33.04 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 119.973 1.261 . . . . 0.0 111.012 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.86 78.62 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.617 0.644 . . . . 0.0 110.653 170.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.46 -50.51 67.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.347 0.521 . . . . 0.0 110.382 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.29 -52.67 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.078 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.19 -52.68 63.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.848 0.459 . . . . 0.0 110.602 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.04 -55.11 22.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 124.157 0.983 . . . . 0.0 109.381 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -49.89 -50.69 45.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 176.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.19 -39.35 82.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.485 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -58.11 -51.57 69.15 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.961 0.801 . . . . 0.0 109.704 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -60.8 -50.21 74.37 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.426 0.631 . . . . 0.0 110.865 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -58.33 -30.58 66.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.199 0.599 . . . . 0.0 112.012 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.82 74.68 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -73.65 -53.2 10.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.97 0.885 . . . . 0.0 110.586 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -152.88 108.95 3.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 123.176 0.59 . . . . 0.0 110.097 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.58 -105.63 0.37 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 107.636 -2.186 . . . . 0.0 107.636 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -154.3 161.05 42.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -32.15 -47.7 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.236 1.414 . . . . 0.0 112.278 171.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -108.39 7.74 27.22 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.807 1.243 . . . . 0.0 112.947 -171.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -144.08 147.28 33.57 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.037 1.29 . . . . 0.0 114.02 -174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.5 mt -110.33 129.32 55.77 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.217 1.807 . . . . 0.0 112.142 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -69.41 168.63 14.05 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.743 0.701 . . . . 0.0 109.845 168.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -54.66 -39.79 68.41 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.879 -0.513 . . . . 0.0 111.67 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -57.81 -52.79 64.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.76 0.824 . . . . 0.0 109.575 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -68.77 -38.98 80.42 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.332 -176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.38 -49.9 75.06 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.327 0.651 . . . . 0.0 109.333 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.33 -50.36 71.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.077 0.551 . . . . 0.0 110.067 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.26 -53.25 60.19 Favored 'General case' 0 C--O 1.224 -0.265 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -48.89 -54.34 15.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.203 1.401 . . . . 0.0 110.259 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.574 HG21 HD11 ' B' ' 47' ' ' ILE . 84.6 mt -62.04 -53.02 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 118.806 0.73 . . . . 0.0 110.33 -177.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -54.91 -46.81 74.92 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.606 0.639 . . . . 0.0 111.497 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -76.45 -37.53 56.81 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.526 1.13 . . . . 0.0 112.737 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -100.84 -42.8 6.32 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -90.07 24.17 2.56 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.544 1.065 . . . . 0.0 111.262 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -49.74 -35.69 23.11 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -171.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.05 -40.93 13.43 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.197 0.599 . . . . 0.0 110.166 177.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.77 -39.39 84.12 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.206 1.003 . . . . 0.0 112.242 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 139.64 51.97 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 127.212 2.205 . . . . 0.0 108.23 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.67 158.33 15.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.399 0.68 . . . . 0.0 109.918 171.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -44.71 127.38 6.17 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.453 1.501 . . . . 0.0 110.493 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.574 HD11 HG21 ' B' ' 36' ' ' ILE . 18.5 mm -74.56 144.71 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.04 0.936 . . . . 0.0 109.764 -172.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -103.37 -141.2 0.36 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.39 135.4 39.32 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.089 0.956 . . . . 0.0 112.583 -168.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -48.17 -36.56 13.81 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.218 1.407 . . . . 0.0 112.286 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -58.54 -42.19 87.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.528 -0.733 . . . . 0.0 111.165 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.18 -44.02 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.406 HG12 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -60.19 -44.17 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.48 -43.7 89.06 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.318 0.647 . . . . 0.0 110.788 174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -49.31 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.089 0.404 . . . . 0.0 109.999 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.64 -40.36 88.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.395 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -51.53 65.36 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.758 1.163 . . . . 0.0 110.464 175.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -54.45 -43.17 71.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.408 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -55.89 -37.68 69.18 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.393 0.677 . . . . 0.0 110.951 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.92 -31.05 17.45 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 118.889 0.768 . . . . 0.0 112.588 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -64.13 71.22 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.737 1.615 . . . . 0.0 113.945 -169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -46.54 -43.82 17.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 126.687 1.995 . . . . 0.0 111.848 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.62 -17.2 61.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.332 1.053 . . . . 0.0 111.671 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.61 41.17 89.17 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.57 18.74 16.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.597 1.159 . . . . 0.0 109.689 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.47 -72.79 0.97 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 -169.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.3 132.87 48.96 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.093 0.957 . . . . 0.0 110.557 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.5 m -79.66 125.02 29.1 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -76.27 158.79 31.21 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.402 ' CE2' HG22 ' A' ' 81' ' ' THR . 23.7 t80 -48.77 -43.6 38.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -52.83 -42.99 65.66 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -72.8 -41.58 64.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.769 0.828 . . . . 0.0 110.381 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.17 -52.6 50.99 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -41.06 97.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.338 0.255 . . . . 0.0 110.709 -175.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.99 -44.84 91.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.677 -0.64 . . . . 0.0 111.022 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.12 -52.27 65.6 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 61.2 t -51.52 -42.34 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.36 66.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.953 0.797 . . . . 0.0 111.458 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -64.95 -42.77 94.35 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.423 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 3.7 mm -55.73 -47.72 78.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.02 0.528 . . . . 0.0 109.777 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 97.8 m -61.54 -49.65 75.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.375 1.47 . . . . 0.0 109.807 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.2 m -58.46 -44.02 89.08 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.498 0.59 . . . . 0.0 110.394 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.81 -45.58 89.63 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.449 -0.782 . . . . 0.0 111.121 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 t -58.24 -45.34 87.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.716 -0.615 . . . . 0.0 111.388 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -56.53 -50.56 71.5 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.25 1.02 . . . . 0.0 110.781 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.38 -44.43 62.14 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 123.234 0.614 . . . . 0.0 110.165 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -60.81 3.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -59.34 -33.76 71.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.684 1.594 . . . . 0.0 111.754 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -47.1 -50.32 20.26 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.179 0.592 . . . . 0.0 109.9 169.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -83.3 71.21 10.24 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.156 -1.402 . . . . 0.0 110.787 -178.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 120.655 0.264 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -78.14 65.08 3.44 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.311 0.644 . . . . 0.0 109.998 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp 68.23 -64.1 0.31 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 127.337 2.255 . . . . 0.0 110.411 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? 51.97 38.97 25.15 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.883 1.273 . . . . 0.0 109.572 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.55 62.07 4.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 -169.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 8.3 m -57.22 -38.52 73.88 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 64.94 0.72 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.363 1.065 . . . . 0.0 111.179 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -101.97 -171.14 1.92 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.278 1.431 . . . . 0.0 108.509 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.7 41.81 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.042 0.937 . . . . 0.0 113.29 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 64.4 -30.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.717 2.407 . . . . 0.0 117.128 170.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -50.53 -38.29 43.92 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -169.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.92 -19.04 65.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.595 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 6.4 p -124.86 -13.76 6.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.289 1.436 . . . . 0.0 113.439 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -45.58 -48.47 14.48 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.798 1.181 . . . . 0.0 114.062 -168.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -46.86 80.25 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.867 0.867 . . . . 0.0 110.761 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.18 -44.65 75.42 Favored 'General case' 0 C--O 1.225 -0.215 0 O-C-N 122.162 -0.336 . . . . 0.0 110.106 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -52.11 -53.84 37.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.741 0.817 . . . . 0.0 110.175 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.2 mt -57.58 -46.84 83.49 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.519 0.328 . . . . 0.0 110.349 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -59.63 -50.14 75.02 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.935 -0.478 . . . . 0.0 111.073 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.57 -43.17 84.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.412 0.685 . . . . 0.0 110.593 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 73.2 m -60.0 -46.33 89.83 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -63.65 -35.95 82.21 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.057 -0.402 . . . . 0.0 111.651 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.83 -39.99 95.54 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.69 -22.58 53.59 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.659 1.124 . . . . 0.0 114.875 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.83 -48.68 79.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.432 1.616 . . . . 0.0 111.877 -172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.179 -1.391 . . . . 0.0 109.956 -178.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.575 0.226 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.23 79.88 3.02 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.22 160.34 33.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.74 0.816 . . . . 0.0 110.089 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.3 57.04 3.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.295 1.838 . . . . 0.0 112.968 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . 0.409 ' H ' ' HD3' ' D' ' 66' ' ' ARG . 0.0 OUTLIER -78.89 160.76 27.15 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -45.66 -50.69 13.25 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.375 1.07 . . . . 0.0 112.769 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.01 -44.25 82.6 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.669 0.388 . . . . 0.0 111.379 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.75 -43.83 87.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.42 0.688 . . . . 0.0 109.728 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.25 -51.6 69.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.684 0.394 . . . . 0.0 110.051 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.15 -50.78 68.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 119.15 -0.452 . . . . 0.0 110.536 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -49.69 -51.01 41.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.0 0.92 . . . . 0.0 110.89 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -63.87 0.04 0.95 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.7 p -129.57 17.29 5.87 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 119.842 1.201 . . . . 0.0 112.899 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -50.24 -43.69 53.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.136 1.789 . . . . 0.0 112.78 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.02 -45.29 75.13 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.622 0.769 . . . . 0.0 110.065 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.23 -36.12 81.0 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.453 173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -53.18 -46.3 68.91 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.27 1.396 . . . . 0.0 110.897 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.02 -52.0 67.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.292 0.497 . . . . 0.0 110.659 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -52.06 -54.62 27.98 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.494 0.717 . . . . 0.0 111.056 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -50.84 -48.63 59.88 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 125.82 1.648 . . . . 0.0 109.579 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 49.3 m -61.47 -49.86 75.08 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.302 0.501 . . . . 0.0 110.835 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 42.6 mtm105 -63.01 -37.71 88.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.905 -0.497 . . . . 0.0 111.124 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.93 -39.9 72.39 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 171.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.76 -18.16 44.92 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 127.321 2.391 . . . . 0.0 113.45 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -40.66 22.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.012 0.906 . . . . 0.0 108.828 169.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.278 -1.344 . . . . 0.0 108.346 169.41 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -45.02 -53.96 7.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.723 1.209 . . . . 0.0 113.809 -169.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.34 -47.04 85.02 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.582 0.628 . . . . 0.0 110.269 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -61.15 -42.02 97.79 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.213 -0.305 . . . . 0.0 110.278 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -62.79 -52.07 64.61 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.698 0.399 . . . . 0.0 110.071 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.67 59.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.223 0.609 . . . . 0.0 110.006 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.62 HG13 HG23 ' B' ' 81' ' ' THR . 9.5 t -57.62 -55.86 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.984 0.514 . . . . 0.0 111.741 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -65.09 -33.34 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 119.505 1.048 . . . . 0.0 110.518 -175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.99 67.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.411 0.55 . . . . 0.0 110.322 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.1 -49.87 70.62 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.398 0.679 . . . . 0.0 110.254 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.66 -51.13 76.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.791 0.836 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.2 -51.82 67.96 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 122.043 -0.411 . . . . 0.0 110.251 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -55.3 -53.69 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -49.33 -51.86 31.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -53.62 -47.76 69.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.284 1.033 . . . . 0.0 110.861 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -54.05 -49.48 68.89 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.775 0.716 . . . . 0.0 111.854 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -68.49 -53.3 24.22 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.368 0.604 . . . . 0.0 110.752 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.4 m -56.89 -30.97 64.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 125.472 1.509 . . . . 0.0 112.8 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.63 -32.29 61.31 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -75.42 -53.66 8.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.775 0.787 . . . . 0.0 110.968 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -143.57 112.13 6.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.241 0.616 . . . . 0.0 110.033 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.19 4.29 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 125.552 1.549 . . . . 0.0 111.971 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 t0 38.75 58.31 1.73 Allowed 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.903 2.081 . . . . 0.0 113.088 169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.325 6.1 ptpp? 65.09 -38.82 0.25 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.644 2.378 . . . . 0.0 116.051 172.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.52 -22.22 47.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.506 1.048 . . . . 0.0 112.32 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -133.34 155.03 50.18 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 118.869 0.759 . . . . 0.0 111.631 -171.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.6 mt -107.79 113.44 26.69 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.678 1.191 . . . . 0.0 109.174 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -64.5 151.64 43.87 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -27.92 32.0 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -58.22 -51.31 70.29 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.011 0.924 . . . . 0.0 110.004 170.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -67.02 -49.31 65.65 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.079 0.952 . . . . 0.0 109.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.62 -45.59 73.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.053 0.941 . . . . 0.0 108.927 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.45 -62.02 2.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.021 -0.424 . . . . 0.0 111.45 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.86 -38.11 84.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.607 -174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD21 HD11 ' B' ' 3' ' ' LEU . 2.3 tm? -52.78 -54.88 27.84 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.379 1.472 . . . . 0.0 109.726 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.48 -56.0 20.74 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 118.695 0.68 . . . . 0.0 110.003 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -52.15 -47.56 65.35 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.113 0.565 . . . . 0.0 110.385 -174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.11 -54.48 9.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.54 0.736 . . . . 0.0 110.895 -175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -89.23 -44.1 10.52 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -83.82 41.41 0.8 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.31 -21.97 61.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.123 1.369 . . . . 0.0 111.726 -174.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -101.54 -45.07 5.4 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.05 0.94 . . . . 0.0 108.766 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.12 -55.89 26.0 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.201 1.001 . . . . 0.0 111.2 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mp -116.33 167.95 10.57 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.758 1.623 . . . . 0.0 108.846 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -86.46 166.61 15.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.01 150.95 27.59 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mt -96.64 -55.22 6.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 123.211 0.604 . . . . 0.0 112.284 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 66.63 -59.51 0.36 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.229 1.412 . . . . 0.0 112.588 -172.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -68.33 86.15 0.28 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.51 -0.744 . . . . 0.0 110.9 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -41.6 -40.43 1.9 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.534 1.534 . . . . 0.0 112.308 173.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -59.87 -43.92 94.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.703 0.801 . . . . 0.0 111.569 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.06 -51.18 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.91 -41.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.901 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -53.65 -43.68 68.97 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -63.59 -49.79 71.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.652 0.66 . . . . 0.0 112.335 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.2 m -59.31 -43.57 90.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 118.83 0.741 . . . . 0.0 110.273 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -73.08 -38.96 66.23 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.912 -0.493 . . . . 0.0 110.459 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.61 -46.36 66.96 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.49 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . 0.288 11.7 t -61.11 -20.96 63.25 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 117.798 -1.096 . . . . 0.0 113.75 178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.24 -24.2 19.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 120.002 1.273 . . . . 0.0 110.895 169.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -63.92 87.54 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.578 0.751 . . . . 0.0 112.103 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 p -40.87 -38.54 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.466 1.906 . . . . 0.0 112.908 170.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.95 -15.35 44.68 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.805 0.842 . . . . 0.0 111.927 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.73 39.96 8.7 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.895 0.76 . . . . 0.0 111.792 -172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -117.58 -4.9 11.21 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.009 1.724 . . . . 0.0 111.7 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.72 6.15 70.51 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.493 1.045 . . . . 0.0 113.363 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -134.53 120.42 19.66 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.303 1.041 . . . . 0.0 110.924 174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.99 124.9 34.2 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -173.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.85 160.32 23.5 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' B' ' 81' ' ' THR . 79.2 t80 -47.22 -43.18 21.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.324 0.649 . . . . 0.0 112.116 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -59.21 -43.18 92.29 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.909 -0.495 . . . . 0.0 111.535 176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.95 -41.13 78.45 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.315 -0.866 . . . . 0.0 109.735 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.34 -46.86 69.67 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -40.28 79.13 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.081 0.553 . . . . 0.0 111.605 176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.72 96.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.558 -0.714 . . . . 0.0 111.454 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.48 -49.92 75.92 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.702 -0.624 . . . . 0.0 109.414 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 t -51.01 -45.79 29.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 122.986 0.514 . . . . 0.0 109.701 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -52.14 66.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.652 0.66 . . . . 0.0 111.448 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.65 -46.13 87.81 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.324 0.965 . . . . 0.0 111.197 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.61 -52.84 54.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.904 0.859 . . . . 0.0 109.126 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.3 m -59.73 -37.88 80.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.17 0.988 . . . . 0.0 110.063 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -60.88 -51.07 70.85 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.277 177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -46.63 85.82 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.172 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.6 t -59.28 -46.26 89.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.273 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -53.68 -56.75 14.6 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 125.519 1.527 . . . . 0.0 110.364 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -51.13 -49.9 59.9 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -59.97 4.57 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.515 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -64.65 -35.0 79.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.258 0.623 . . . . 0.0 112.155 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.36 -49.58 73.31 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -76.7 69.62 3.1 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.391 0.615 . . . . 0.0 109.649 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.27 -175.5 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.27 -45.64 8.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.035 0.934 . . . . 0.0 110.179 171.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.477 HD11 HD21 ' A' ' 35' ' ' LEU . 19.2 mt -53.87 -50.78 65.52 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.325 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -55.91 -41.18 74.13 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.051 0.387 . . . . 0.0 109.976 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.41 -52.6 57.36 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 122.426 0.29 . . . . 0.0 110.254 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.83 67.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.545 0.688 . . . . 0.0 110.738 176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.54 -55.67 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.262 1.025 . . . . 0.0 110.9 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -29.29 46.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.023 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.6 89.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.199 0.909 . . . . 0.0 110.968 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -51.73 64.46 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.87 0.759 . . . . 0.0 109.32 175.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.36 -50.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.92 -50.81 65.01 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.722 0.809 . . . . 0.0 111.014 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.37 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -53.09 -52.43 58.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.005 -0.521 . . . . 0.0 110.464 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -52.56 -48.06 66.4 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.89 1.276 . . . . 0.0 110.933 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -50.86 -50.41 56.94 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 110.491 -0.189 . . . . 0.0 110.491 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -74.14 -52.64 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 84.0 p -60.9 -27.87 68.48 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 120.982 -1.074 . . . . 0.0 112.032 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.77 -30.21 65.62 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -80.53 -54.72 5.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.923 0.861 . . . . 0.0 111.198 -169.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.38 105.04 3.98 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.78 -39.52 1.45 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 109.036 -1.626 . . . . 0.0 109.036 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 t0 87.32 76.31 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 127.598 2.359 . . . . 0.0 112.757 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.22 -49.52 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.62 1.968 . . . . 0.0 114.568 168.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -99.68 -10.55 21.8 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.575 1.15 . . . . 0.0 112.974 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -138.69 155.03 48.59 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.761 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 66.9 mt -119.14 128.09 53.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.523 1.529 . . . . 0.0 109.901 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -73.53 174.21 8.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.162 0.892 . . . . 0.0 110.08 169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -54.13 -40.96 67.86 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.006 0.522 . . . . 0.0 110.914 172.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.57 -54.3 47.02 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -64.45 -45.69 86.34 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 119.363 -0.935 . . . . 0.0 110.727 -173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.85 -45.97 82.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.5 0.32 . . . . 0.0 110.336 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HB2' HG21 ' B' ' 53' ' ' VAL . 2.1 tmtp? -56.18 -58.99 5.61 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.86 -0.525 . . . . 0.0 110.695 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.62 -34.76 76.31 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 119.07 -1.052 . . . . 0.0 110.934 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.448 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.6 tm? -52.01 -55.91 17.56 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.554 0.742 . . . . 0.0 109.015 172.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.56 -53.02 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.802 0.728 . . . . 0.0 109.701 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -49.4 -46.52 47.53 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -78.13 -43.17 29.63 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 118.396 0.544 . . . . 0.0 112.187 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -87.18 -41.87 13.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -95.57 13.56 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.983 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -47.71 -33.06 6.47 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -98.97 -11.71 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.101 0.96 . . . . 0.0 111.662 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -93.54 -59.96 1.88 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 125.36 1.464 . . . . 0.0 108.858 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.31 156.86 20.89 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.308 1.443 . . . . 0.0 108.874 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.89 161.87 12.11 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.667 172.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.37 153.63 26.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 169.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.62 86.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.331 1.052 . . . . 0.0 109.089 -172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -88.76 -24.91 22.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.779 0.832 . . . . 0.0 111.772 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 87.03 1.21 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.233 0.613 . . . . 0.0 109.986 -173.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.87 -45.55 2.54 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.869 1.668 . . . . 0.0 113.154 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.57 -39.05 79.24 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.743 -1.223 . . . . 0.0 110.569 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.84 -39.63 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 O-C-N 121.763 -0.585 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' B' ' 33' ' ' LYS . 1.0 OUTLIER -58.94 -41.97 84.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 118.864 0.756 . . . . 0.0 109.979 176.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.94 -42.15 98.77 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.588 0.355 . . . . 0.0 111.141 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -60.55 -49.21 78.46 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.532 -0.73 . . . . 0.0 111.399 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.96 -45.67 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.547 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -49.57 -53.56 23.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.663 0.665 . . . . 0.0 110.47 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -54.84 -47.33 74.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.707 0.803 . . . . 0.0 110.284 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 87.5 m -57.42 -39.36 76.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 111.476 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.54 -37.18 57.06 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.431 1.014 . . . . 0.0 110.976 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -64.02 66.57 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.433 1.893 . . . . 0.0 114.224 -169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -58.35 -24.83 60.97 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.827 1.251 . . . . 0.0 111.517 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.63 -14.99 61.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.38 0.672 . . . . 0.0 111.094 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.77 40.6 56.83 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -115.92 17.76 15.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.662 1.185 . . . . 0.0 109.757 -173.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.35 -71.38 1.02 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -171.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.36 152.62 24.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.187 1.395 . . . . 0.0 112.188 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 t -87.61 109.07 19.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.09 159.28 34.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -48.41 -41.11 28.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 119.343 -0.36 . . . . 0.0 111.912 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.67 -42.86 89.46 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.551 0.614 . . . . 0.0 111.57 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -70.27 -40.56 74.26 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.908 -0.495 . . . . 0.0 110.092 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.24 -55.09 31.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.073 169.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.1 mmm -56.42 -42.74 78.51 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.512 0.596 . . . . 0.0 111.424 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.94 85.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.971 -0.455 . . . . 0.0 111.076 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.18 -50.97 69.72 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.25 -45.61 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.787 0.835 . . . . 0.0 109.587 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -52.58 64.67 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 119.471 1.032 . . . . 0.0 111.34 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -66.75 -44.08 82.41 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.404 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -56.66 -49.66 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 121.779 0.799 . . . . 0.0 110.098 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.62 HG23 HG13 ' A' ' 7' ' ' VAL . 89.0 m -58.29 -44.12 88.35 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.973 0.909 . . . . 0.0 109.081 176.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 66.6 m -58.02 -42.79 86.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.905 0.775 . . . . 0.0 111.102 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.43 94.3 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.169 -0.957 . . . . 0.0 110.778 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -60.82 -42.41 97.63 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.694 -0.629 . . . . 0.0 111.538 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -54.33 -55.65 26.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -47.38 -48.53 25.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 122.938 0.495 . . . . 0.0 110.58 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.16 -58.16 9.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -59.25 -37.46 77.63 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.289 1.036 . . . . 0.0 111.738 -171.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.42 -58.02 7.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.374 0.27 . . . . 0.0 110.331 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -82.38 71.11 9.44 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.775 -0.578 . . . . 0.0 109.662 -175.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 . . . . . 0 C--O 1.251 1.135 0 C-N-CA 125.304 1.442 . . . . 0.0 109.218 174.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 62.81 3.14 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.877 0.871 . . . . 0.0 108.971 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -120.12 148.17 43.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.703 1.601 . . . . 0.0 107.518 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 68.42 -67.93 0.19 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.172 1.789 . . . . 0.0 111.406 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -51.83 -37.57 52.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.768 1.227 . . . . 0.0 110.231 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -34.96 -44.06 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.853 2.061 . . . . 0.0 112.859 170.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.08 -38.32 88.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.473 0.709 . . . . 0.0 112.612 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.56 76.32 4.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 122.032 0.92 . . . . 0.0 110.261 -173.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.37 -36.53 0.35 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.759 2.024 . . . . 0.0 113.43 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -48.37 -55.57 10.42 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.925 0.89 . . . . 0.0 112.177 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -63.09 -46.89 85.26 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -55.42 -32.9 63.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.109 0.564 . . . . 0.0 111.143 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 36.8 m -72.75 -15.06 61.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.232 1.013 . . . . 0.0 112.426 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -46.47 -50.48 16.84 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.771 1.169 . . . . 0.0 112.493 -169.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 122.756 0.422 . . . . 0.0 110.335 -177.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 56.3 mt -75.71 -30.4 59.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.686 0.794 . . . . 0.0 110.962 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -48.25 -44.97 33.85 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.894 0.77 . . . . 0.0 111.015 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.25 -57.42 12.94 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.925 0.49 . . . . 0.0 109.882 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -53.25 -50.09 65.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.099 0.476 . . . . 0.0 110.401 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.1 -38.98 68.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.842 1.257 . . . . 0.0 111.086 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 69.2 m -61.61 -49.42 76.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 O-C-N 121.795 -0.566 . . . . 0.0 109.84 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -37.66 88.18 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.916 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.83 -36.21 83.59 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.687 -0.633 . . . . 0.0 110.42 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.49 94.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.69 -34.2 74.0 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 110.474 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 126.056 1.742 . . . . 0.0 111.943 179.473 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 90.2 mttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.96 144.75 57.08 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 32.1 mt 71.4 -58.88 0.56 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.14 1.776 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -45.57 63.93 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.324 1.049 . . . . 0.0 109.922 171.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? 57.5 -83.19 0.02 OUTLIER 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.818 1.647 . . . . 0.0 111.818 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 41.5 m 55.17 -80.24 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.771 2.029 . . . . 0.0 112.623 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.79 -34.81 79.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.128 0.571 . . . . 0.0 110.008 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -74.74 67.87 1.64 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.278 0.631 . . . . 0.0 109.439 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.87 38.08 0.12 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.252 1.421 . . . . 0.0 112.702 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.68 -59.88 0.23 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.901 2.48 . . . . 0.0 113.222 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.9 -45.42 7.57 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.634 1.573 . . . . 0.0 112.538 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -50.74 -26.94 6.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 72.1 p -61.85 -21.31 64.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.118 0.872 . . . . 0.0 112.296 178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -46.99 -48.15 21.8 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.81 1.244 . . . . 0.0 112.729 -170.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.85 -32.06 71.48 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.205 0.602 . . . . 0.0 111.487 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.1 mt -96.08 -37.29 10.67 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.153 0.981 . . . . 0.0 111.441 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -39.68 8.53 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 125.909 1.684 . . . . 0.0 112.665 -169.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 pp -44.52 -31.97 1.27 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.189 0.996 . . . . 0.0 112.937 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -52.11 -31.79 32.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.065 0.946 . . . . 0.0 112.544 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -59.0 -29.94 67.62 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.421 1.01 . . . . 0.0 111.33 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -63.72 -43.76 95.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.731 -0.605 . . . . 0.0 109.756 172.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -66.3 -36.98 84.34 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.41 -38.74 88.14 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.45 -46.27 81.18 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.16 -62.62 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.552 0.741 . . . . 0.0 109.543 173.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 116.704 -1.617 . . . . 0.0 110.205 172.721 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -53.43 -49.22 67.8 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.619 0.768 . . . . 0.0 110.611 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.44 -44.49 92.93 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.426 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -55.66 -42.6 75.32 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.505 0.593 . . . . 0.0 110.446 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -54.23 48.91 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -52.72 44.39 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.551 0.741 . . . . 0.0 110.554 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 t -54.34 -55.79 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.863 1.265 . . . . 0.0 111.401 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.59 -31.97 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 121.558 -0.714 . . . . 0.0 110.773 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.87 84.26 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.867 0.758 . . . . 0.0 111.222 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.2 mt -55.86 -51.31 67.99 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 119.01 0.823 . . . . 0.0 109.586 176.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -56.47 -50.57 72.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 122.802 0.441 . . . . 0.0 110.021 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.38 -52.06 63.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.542 0.737 . . . . 0.0 111.206 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.29 -47.16 91.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.76 -53.01 60.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.381 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.8 -44.08 77.46 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 123.683 0.793 . . . . 0.0 110.501 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.49 -49.84 63.94 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -71.67 -50.15 33.15 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.593 1.187 . . . . 0.0 112.183 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 t -61.64 -24.34 66.65 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 125.705 1.602 . . . . 0.0 111.944 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.44 76.61 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -73.06 -53.62 10.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 117.568 0.684 . . . . 0.0 110.122 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.93 105.06 4.06 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.063 0.545 . . . . 0.0 110.387 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 42.78 0.2 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.935 1.731 . . . . 0.0 111.749 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 35.89 50.54 0.66 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.039 2.135 . . . . 0.0 114.013 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? 51.58 16.38 0.45 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.731 1.613 . . . . 0.0 115.153 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -136.0 -15.33 1.76 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.791 1.236 . . . . 0.0 113.159 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -137.1 157.73 46.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.119 1.368 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -114.83 116.85 29.25 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.699 0.799 . . . . 0.0 109.874 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -74.4 159.73 31.94 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 169.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' HG23 ' A' ' 53' ' ' VAL 0.258 0.0 OUTLIER -58.77 -34.6 71.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -168.886 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -52.63 -47.4 67.06 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 110.196 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.37 -50.68 20.66 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.63 -43.71 76.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HB2' HG21 ' A' ' 53' ' ' VAL . 61.3 tttp -55.31 -62.15 1.86 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.89 -47.01 87.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.1 tm? -48.52 -55.11 11.92 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.525 1.53 . . . . 0.0 109.664 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.21 -50.31 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 119.634 1.106 . . . . 0.0 110.118 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -57.56 -41.31 80.77 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.593 0.633 . . . . 0.0 111.357 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.0 -48.86 21.99 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.563 1.545 . . . . 0.0 111.098 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -88.43 -41.39 12.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.835 -0.541 . . . . 0.0 112.429 -171.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.83 17.88 8.49 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.751 0.705 . . . . 0.0 111.817 -172.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -52.45 -36.62 55.05 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.7 -32.14 41.29 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.88 -0.513 . . . . 0.0 110.187 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -74.15 -70.33 0.4 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.044 1.338 . . . . 0.0 109.392 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -106.86 144.12 33.96 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 124.689 1.196 . . . . 0.0 109.288 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.74 162.24 29.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.207 172.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -48.43 134.1 15.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.092 1.357 . . . . 0.0 110.822 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mt -84.64 -50.06 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.015 -171.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 65.64 -69.43 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.977 1.711 . . . . 0.0 111.633 -174.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -65.47 104.06 0.93 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.954 1.302 . . . . 0.0 111.051 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.617 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.9 mp0 -56.77 -33.02 66.19 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.961 -0.462 . . . . 0.0 112.175 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.46 -34.24 66.69 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.915 -0.491 . . . . 0.0 110.084 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -65.74 -42.75 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 50' ' ' GLN . 4.3 m -60.91 -44.33 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.831 0.742 . . . . 0.0 109.291 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -57.2 -45.77 83.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.56 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.69 -50.1 72.48 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 121.743 -0.598 . . . . 0.0 111.785 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.68 -36.92 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.56 -0.712 . . . . 0.0 109.107 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.72 -52.85 63.72 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 121.441 -0.787 . . . . 0.0 110.489 172.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -52.55 -42.92 64.87 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.708 0.803 . . . . 0.0 110.29 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.2 m -56.37 -33.48 65.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.541 1.136 . . . . 0.0 111.969 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.6 mt -96.62 -32.23 12.33 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.246 1.019 . . . . 0.0 112.811 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -53.81 68.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 129.229 3.012 . . . . 0.0 115.354 -168.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.01 -25.52 61.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.271 0.628 . . . . 0.0 111.514 171.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.84 -15.72 61.61 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.817 0.447 . . . . 0.0 111.537 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.72 34.13 35.91 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-O 119.589 -0.561 . . . . 0.0 112.105 -173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -117.43 7.2 12.71 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 124.124 0.97 . . . . 0.0 110.556 -172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.24 -71.54 0.99 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 -170.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.06 124.02 18.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.01 127.44 36.05 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.014 0.526 . . . . 0.0 111.233 -169.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.02 160.95 27.74 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.362 0.665 . . . . 0.0 110.862 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.92 -40.87 23.19 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.104 0.562 . . . . 0.0 111.142 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -58.81 -42.8 90.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.212 0.46 . . . . 0.0 112.095 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -71.11 -42.11 69.71 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.666 0.746 . . . . 0.0 109.389 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -52.7 -50.73 62.75 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.225 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.5 mtp -57.23 -45.14 84.15 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.12 0.568 . . . . 0.0 111.591 176.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.21 79.69 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 122.108 -0.37 . . . . 0.0 110.73 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.63 -52.32 66.02 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.944 0.497 . . . . 0.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 t -51.07 -44.12 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.948 0.899 . . . . 0.0 109.818 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -54.63 44.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.728 0.695 . . . . 0.0 110.82 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -68.29 -40.3 81.82 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.731 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.69 -48.59 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.547 0.689 . . . . 0.0 109.565 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 HG23 HG13 ' B' ' 7' ' ' VAL . 69.1 m -61.93 -43.33 99.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.512 0.725 . . . . 0.0 110.405 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.6 m -54.11 -47.61 71.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.413 1.006 . . . . 0.0 110.84 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.56 90.41 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.578 -0.701 . . . . 0.0 110.849 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.74 -46.0 88.4 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -54.73 -56.44 19.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.92 -48.37 70.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.823 0.283 . . . . 0.0 110.672 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -53.12 -56.52 15.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.025 0.93 . . . . 0.0 110.997 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.12 -35.66 80.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.517 1.127 . . . . 0.0 110.723 -172.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.75 -67.37 0.6 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.206 1.002 . . . . 0.0 110.21 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -85.63 70.62 10.75 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -172.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.003 -179.318 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -55.31 -47.32 75.78 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.613 -0.679 . . . . 0.0 111.618 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.4 mt -56.13 -48.72 75.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.41 0.55 . . . . 0.0 110.408 176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -57.97 -42.11 84.35 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.557 0.343 . . . . 0.0 110.438 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -61.45 -53.07 61.25 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.839 0.856 . . . . 0.0 109.224 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.7 -49.35 62.63 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.635 0.774 . . . . 0.0 110.423 174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.499 HG13 HG23 ' A' ' 81' ' ' THR . 11.1 t -57.98 -55.58 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.497 0.719 . . . . 0.0 111.777 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -64.01 -34.1 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.109 0 O-C-N 121.327 -0.858 . . . . 0.0 110.696 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.44 85.51 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.483 0.583 . . . . 0.0 110.146 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.81 -52.09 65.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.972 0.509 . . . . 0.0 109.707 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.1 mt -57.56 -52.1 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.777 0.831 . . . . 0.0 110.062 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -63.52 -51.4 65.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.359 0.664 . . . . 0.0 110.964 -174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -55.71 -51.17 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -54.76 -53.95 48.47 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.585 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.0 -48.34 73.46 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.239 0.472 . . . . 0.0 110.541 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.6 -42.78 56.33 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.041 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -73.73 -57.14 4.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.359 0.982 . . . . 0.0 110.637 173.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.2 m -52.74 -41.01 63.6 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 125.594 1.558 . . . . 0.0 112.912 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.67 65.23 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.211 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -48.17 23.45 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.134 0.967 . . . . 0.0 111.471 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -140.46 105.6 5.01 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.184 0.516 . . . . 0.0 109.8 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.06 -97.67 0.25 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 107.332 -2.307 . . . . 0.0 107.332 -176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -173.92 165.79 4.32 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -38.09 -44.52 0.83 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.789 0.722 . . . . 0.0 112.943 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -98.5 6.78 46.89 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -142.18 133.68 26.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 58.3 mt -102.99 125.16 49.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.567 1.547 . . . . 0.0 111.701 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -69.15 174.14 4.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.627 1.103 . . . . 0.0 110.082 168.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -54.37 -40.25 67.95 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.045 -0.41 . . . . 0.0 110.521 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -61.69 -51.83 66.81 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 123.692 0.797 . . . . 0.0 109.925 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.85 -51.67 66.71 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.255 0.622 . . . . 0.0 109.845 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -56.73 -52.81 63.53 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 118.927 -1.109 . . . . 0.0 110.889 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.96 -40.4 91.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.026 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.417 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.1 tm? -49.52 -55.35 13.65 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.445 1.098 . . . . 0.0 109.011 173.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.01 -54.56 28.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -52.86 -52.0 58.95 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.163 0.585 . . . . 0.0 110.748 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.88 -53.64 20.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.189 0.595 . . . . 0.0 110.291 -174.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -82.27 -44.43 16.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.555 -0.458 . . . . 0.0 112.103 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.88 43.54 1.14 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.52 1.055 . . . . 0.0 108.77 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -40.49 92.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.02 1.728 . . . . 0.0 111.94 -170.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -39.66 11.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.317 0.647 . . . . 0.0 109.769 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.93 -50.92 71.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.7 0.8 . . . . 0.0 111.556 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mp -115.08 158.04 22.7 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.196 0.998 . . . . 0.0 108.916 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.83 150.03 47.27 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.12 144.6 39.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.89 0.476 . . . . 0.0 109.944 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -117.28 91.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 124.915 1.286 . . . . 0.0 108.994 -170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -81.6 -41.69 21.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.336 1.454 . . . . 0.0 109.979 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.04 87.27 0.38 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.857 0.863 . . . . 0.0 111.873 -169.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -33.71 -55.31 0.46 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.406 1.882 . . . . 0.0 112.943 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.4 -31.24 69.07 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.167 -0.958 . . . . 0.0 112.067 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.29 -34.82 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 O-C-N 121.646 -0.658 . . . . 0.0 110.551 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -47.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.341 0.233 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 170.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.49 -46.16 84.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.414 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -60.0 -50.01 75.43 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 121.618 -0.676 . . . . 0.0 111.584 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.69 -44.03 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.406 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ptm -57.48 -49.49 76.11 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.831 0.741 . . . . 0.0 110.054 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -53.53 -45.82 69.92 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.236 1.014 . . . . 0.0 110.253 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -56.61 -34.42 67.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.64 0.776 . . . . 0.0 111.259 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.44 -26.48 22.09 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.82 0.736 . . . . 0.0 112.579 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -66.48 67.18 0.05 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.651 1.58 . . . . 0.0 112.818 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.1 t -62.3 -29.47 70.45 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.644 -0.66 . . . . 0.0 111.176 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -74.04 -14.34 60.99 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.016 0.927 . . . . 0.0 111.409 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.31 44.58 84.6 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -107.47 5.55 27.31 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 110.086 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -68.54 2.19 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.62 153.98 12.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.338 0.655 . . . . 0.0 111.376 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.08 112.15 23.97 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 124.258 1.023 . . . . 0.0 108.717 170.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.19 158.78 34.58 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.823 0.849 . . . . 0.0 110.848 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -49.49 -40.68 38.29 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -61.79 -41.41 97.7 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.756 -0.59 . . . . 0.0 111.906 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.79 -46.05 73.06 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.701 1.2 . . . . 0.0 108.966 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -51.67 -52.8 45.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.697 -1.592 . . . . 0.0 110.266 169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.9 mtp -57.97 -44.33 87.0 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.727 0.694 . . . . 0.0 111.996 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.3 81.85 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.057 -0.402 . . . . 0.0 110.521 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -62.34 -50.33 72.04 Favored 'General case' 0 C--O 1.233 0.237 0 O-C-N 121.875 -0.516 . . . . 0.0 110.414 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -51.07 -43.38 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.506 0.723 . . . . 0.0 109.971 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.08 -53.44 58.26 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.711 0.687 . . . . 0.0 110.874 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.299 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mm -55.95 -53.55 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.947 0.879 . . . . 0.0 109.953 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -63.15 -40.0 96.3 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.666 1.186 . . . . 0.0 110.136 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -61.92 -46.71 88.14 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.329 0.513 . . . . 0.0 110.504 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.98 -46.19 82.39 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.0 t -61.3 -49.32 77.52 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.955 -0.466 . . . . 0.0 111.063 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -50.15 -55.89 13.22 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.475 1.11 . . . . 0.0 110.707 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -61.48 -45.86 92.46 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.269 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -59.02 -20.0 48.99 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.15 -31.25 65.17 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.034 0.534 . . . . 0.0 110.724 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.07 -25.36 63.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.27 0.487 . . . . 0.0 111.903 174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -104.23 73.22 1.11 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.494 1.518 . . . . 0.0 107.548 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.289 -1.339 . . . . 0.0 110.717 177.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.51 110.34 0.76 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.735 0.814 . . . . 0.0 109.844 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 53.2 mt 53.54 39.55 30.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.2 1.0 . . . . 0.0 110.681 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -67.57 0.24 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.292 1.437 . . . . 0.0 109.176 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 68.87 -54.75 0.55 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.23 1.812 . . . . 0.0 113.692 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m 73.79 -50.68 0.69 Allowed 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 126.108 1.763 . . . . 0.0 112.584 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.07 67.86 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 111.609 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -150.38 160.49 43.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.117 1.367 . . . . 0.0 109.334 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.4 -137.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 171.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -65.55 0.34 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.529 1.531 . . . . 0.0 110.366 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -50.99 -36.05 37.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -46.87 -34.58 5.52 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.37 0.668 . . . . 0.0 112.319 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.4 m -48.37 -40.86 27.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.065 0.946 . . . . 0.0 111.524 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.93 -30.28 23.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.878 0.763 . . . . 0.0 112.379 -176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 -48.31 3.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.799 0.84 . . . . 0.0 109.324 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.4 -26.05 62.8 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 122.175 -0.328 . . . . 0.0 111.864 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -44.97 -41.27 7.15 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.955 1.302 . . . . 0.0 111.413 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.21 -47.65 76.12 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.806 0.73 . . . . 0.0 109.846 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -57.59 -50.25 73.73 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.031 0.933 . . . . 0.0 109.029 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -52.33 58.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.678 176.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 62.7 m -62.8 -38.96 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.934 -0.478 . . . . 0.0 110.785 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -64.34 -36.24 83.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 121.859 -0.525 . . . . 0.0 111.634 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.93 -38.96 90.02 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.236 0.925 . . . . 0.0 109.277 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.92 -20.28 25.79 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 127.082 2.277 . . . . 0.0 114.499 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.64 -33.19 54.32 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.7 1.25 . . . . 0.0 110.595 169.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.387 1.475 . . . . 0.0 109.283 171.342 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.51 -40.98 63.05 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.122 0.569 . . . . 0.0 110.933 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.77 -30.28 63.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.072 0.949 . . . . 0.0 111.778 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -87.67 -49.0 7.44 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.727 0.811 . . . . 0.0 108.875 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -47.1 -51.58 17.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.97 0.908 . . . . 0.0 109.95 176.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 54.7 p 46.16 -97.43 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.878 2.071 . . . . 0.0 112.394 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.74 88.59 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.718 0.807 . . . . 0.0 111.501 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 152.89 -54.38 0.0 OUTLIER 'General case' 0 C--O 1.23 0.063 0 C-N-CA 130.001 3.321 . . . . 0.0 105.243 -173.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 173.67 164.6 0.17 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 128.188 2.595 . . . . 0.0 105.944 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.36 65.88 1.72 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 170.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -43.62 -50.35 7.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.346 1.858 . . . . 0.0 111.881 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -49.28 -27.03 3.45 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.438 1.495 . . . . 0.0 114.007 -176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.2 p -57.68 -28.8 64.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.779 0.718 . . . . 0.0 112.16 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.05 -47.52 33.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.534 0.734 . . . . 0.0 112.863 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -69.26 -26.48 64.79 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 89.3 mt -95.93 -29.04 14.39 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.033 0.933 . . . . 0.0 111.445 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -47.92 -48.96 31.47 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.95 0.9 . . . . 0.0 112.153 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . 0.41 HD23 ' H ' ' D' ' 79' ' ' LEU . 1.6 pt? -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 176.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -56.23 -50.0 72.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.381 -0.824 . . . . 0.0 109.669 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.49 73.52 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.343 1.057 . . . . 0.0 109.181 175.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 34.0 m -59.87 -45.71 91.62 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.389 -0.82 . . . . 0.0 110.03 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -63.88 -38.72 92.13 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.737 -0.602 . . . . 0.0 111.278 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -64.32 -33.45 75.86 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.539 -0.725 . . . . 0.0 110.153 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 1.89 29.78 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.517 -1.157 . . . . 0.0 113.606 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.09 -55.14 38.86 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.899 1.849 . . . . 0.0 108.236 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 116.904 -1.522 . . . . 0.0 109.751 169.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.72 -53.23 59.13 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.3 0.571 . . . . 0.0 110.123 -176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.89 -43.7 91.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.812 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.91 -44.79 91.34 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.476 0.31 . . . . 0.0 110.362 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -60.41 -54.83 40.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.822 0.849 . . . . 0.0 108.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.74 -49.76 57.14 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.556 0.742 . . . . 0.0 110.422 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -59.04 -55.56 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 C-N-CA 124.342 1.057 . . . . 0.0 111.206 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.67 -36.31 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 119.951 1.25 . . . . 0.0 110.773 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -52.45 65.18 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.506 0.594 . . . . 0.0 110.422 171.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.37 -47.27 82.09 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.606 0.363 . . . . 0.0 111.13 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -55.55 -54.11 29.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.18 -50.54 73.28 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.838 0.455 . . . . 0.0 111.13 -173.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 51.3 t -53.8 -59.5 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.135 0.974 . . . . 0.0 109.586 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -55.74 -51.83 66.01 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -53.87 -49.57 68.2 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.681 1.592 . . . . 0.0 110.336 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -58.86 -52.19 66.81 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -60.85 -48.09 83.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.199 0.524 . . . . 0.0 110.217 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -58.96 -24.01 62.15 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.52 0.728 . . . . 0.0 112.27 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.28 -29.75 68.04 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 110.353 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -70.88 -50.2 37.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.503 0.651 . . . . 0.0 109.651 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -143.25 145.54 32.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 169.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.01 -39.96 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 t0 95.87 74.76 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 127.362 2.265 . . . . 0.0 112.487 169.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt 69.15 -51.94 0.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.776 2.031 . . . . 0.0 115.18 169.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -101.54 -3.7 28.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -170.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -145.11 131.74 19.9 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.135 0.88 . . . . 0.0 111.673 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.17 128.67 45.34 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.77 0.828 . . . . 0.0 109.919 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.49 169.58 17.99 Favored 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 169.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -54.42 -43.64 71.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -53.59 -51.36 63.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.693 1.197 . . . . 0.0 111.083 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.62 -48.64 59.3 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -176.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.36 -54.34 48.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.192 1.397 . . . . 0.0 110.745 -176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.45 -46.48 86.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.871 -0.518 . . . . 0.0 110.368 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -59.35 -53.37 59.02 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.12 -177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -48.89 -52.46 24.33 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.342 1.057 . . . . 0.0 109.881 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' A' ' 47' ' ' ILE . 18.3 mt -59.88 -56.05 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.854 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -53.55 -44.52 69.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 118.725 0.693 . . . . 0.0 110.778 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -68.52 -57.41 5.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.649 0.78 . . . . 0.0 109.729 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -97.41 -41.96 7.97 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 -169.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -80.8 6.69 12.28 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.483 0.583 . . . . 0.0 110.834 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -42.09 -39.33 1.94 Allowed 'General case' 0 C--N 1.339 0.127 0 C-N-CA 127.092 2.157 . . . . 0.0 111.018 169.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -63.63 -30.98 72.01 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.77 1.228 . . . . 0.0 111.728 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -109.6 -40.88 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.179 0.991 . . . . 0.0 112.455 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 mp -117.68 161.86 18.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.012 1.325 . . . . 0.0 111.888 -171.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.7 173.55 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.692 1.197 . . . . 0.0 111.496 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.65 89.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.799 1.64 . . . . 0.0 112.096 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.407 HD11 ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.03 75.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 118.937 0.789 . . . . 0.0 110.771 169.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.9 pttm -79.23 -36.61 39.74 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.603 169.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -67.24 87.96 0.18 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.805 1.242 . . . . 0.0 111.674 -172.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -34.15 -47.1 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.855 2.062 . . . . 0.0 113.215 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -45.02 85.18 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.3 t -74.22 -39.03 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.181 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -56.17 -46.27 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.37 -41.74 97.58 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -60.84 -49.35 77.83 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.577 -0.702 . . . . 0.0 111.767 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.21 -36.49 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 110.085 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.426 ' SD ' ' HA ' ' A' ' 29' ' ' LYS . 93.3 mtp -59.92 -52.58 64.8 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.577 -0.702 . . . . 0.0 110.845 171.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.91 -40.31 63.45 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.498 1.119 . . . . 0.0 110.043 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.3 m -55.89 -32.11 63.42 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.003 0.921 . . . . 0.0 111.868 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.6 -17.29 15.77 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 119.327 0.967 . . . . 0.0 113.296 175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -67.7 73.29 0.16 Allowed 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.706 1.139 . . . . 0.0 113.723 -169.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -54.48 -28.1 42.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.061 0.945 . . . . 0.0 111.922 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.28 -15.36 61.41 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.908 -0.568 . . . . 0.0 111.664 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.77 42.66 37.44 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.0 4.96 12.8 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.956 1.303 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.09 -64.42 3.42 Favored Glycine 0 C--N 1.337 0.621 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.73 147.34 53.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 122.734 0.413 . . . . 0.0 109.984 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.6 m -98.1 128.49 44.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.21 157.68 37.21 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -48.47 -41.81 30.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.984 0.514 . . . . 0.0 111.881 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -50.77 -50.7 55.31 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.146 0.498 . . . . 0.0 111.672 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -70.09 -40.61 74.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.26 0.552 . . . . 0.0 110.052 -174.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.38 -51.8 61.35 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.3 mtp -60.24 -35.01 74.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.14 97.28 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.757 0.708 . . . . 0.0 111.344 173.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.21 -52.54 64.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.676 -0.64 . . . . 0.0 109.3 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.92 -40.42 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.094 0.558 . . . . 0.0 109.863 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.65 64.5 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.539 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptp -57.89 -45.82 85.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.053 0.842 . . . . 0.0 110.554 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.1 mm -57.15 -55.41 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.798 0.839 . . . . 0.0 109.747 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -57.73 -47.0 83.66 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.165 0.986 . . . . 0.0 109.812 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -59.89 -51.88 67.8 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.78 -44.76 78.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.685 0.394 . . . . 0.0 110.134 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.83 -54.17 50.15 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 122.251 -0.281 . . . . 0.0 110.907 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.73 -51.4 7.21 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 125.893 1.677 . . . . 0.0 111.126 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -46.01 -48.07 16.76 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.768 0.827 . . . . 0.0 110.989 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -98.76 -21.73 16.23 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -172.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.37 -36.52 73.62 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -74.83 -67.48 0.64 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -83.74 72.48 10.35 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.858 -0.527 . . . . 0.0 110.494 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.647 1.579 . . . . 0.0 108.969 170.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 119.787 -0.149 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.64 -54.78 32.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.285 0.634 . . . . 0.0 111.562 -173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.41 -32.59 73.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.799 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -64.98 -44.08 90.48 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -64.05 -46.87 82.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.497 0.719 . . . . 0.0 109.663 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -55.54 15.57 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.09 -55.73 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.202 1.001 . . . . 0.0 111.157 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.69 -27.6 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 118.819 -1.153 . . . . 0.0 111.577 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -47.33 84.77 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 120.075 1.307 . . . . 0.0 110.977 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.0 mt -54.94 -49.96 70.04 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.23 -49.37 84.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.8 0.333 . . . . 0.0 110.36 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.51 -52.13 62.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.635 0.774 . . . . 0.0 110.01 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -56.02 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -51.69 -53.08 43.03 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -172.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -64.65 -41.81 95.87 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.379 -171.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.89 -49.17 63.52 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -70.72 -54.16 12.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.532 0.682 . . . . 0.0 109.941 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.7 m -58.39 -25.92 62.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.831 1.253 . . . . 0.0 113.362 -176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.35 -30.66 78.21 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 121.686 -0.634 . . . . 0.0 111.724 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -78.69 -51.53 9.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 117.985 0.893 . . . . 0.0 111.616 -169.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.77 104.92 6.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.35 -120.04 1.53 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 -170.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -167.09 37.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.309 1.055 . . . . 0.0 111.245 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 74.4 -36.11 0.32 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.716 1.207 . . . . 0.0 112.155 -174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -91.99 -12.75 32.41 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.969 1.308 . . . . 0.0 112.4 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -128.76 142.76 50.89 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.885 1.274 . . . . 0.0 111.208 -169.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 59.8 mt -108.4 116.6 32.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.216 1.007 . . . . 0.0 110.115 171.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -77.97 158.19 29.4 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 168.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -53.91 -35.98 62.23 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.499 0.72 . . . . 0.0 112.662 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.46 -50.28 62.99 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.805 1.242 . . . . 0.0 110.513 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.27 -43.24 42.66 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.604 0.362 . . . . 0.0 110.501 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -46.51 80.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.386 0.274 . . . . 0.0 110.419 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' B' ' 53' ' ' VAL . 17.9 ptmt -61.57 -50.62 71.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.547 -0.721 . . . . 0.0 111.082 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.66 -38.15 83.38 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 119.025 -0.512 . . . . 0.0 110.263 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.451 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.4 tm? -49.9 -55.26 15.08 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.82 -55.45 23.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 118.171 0.441 . . . . 0.0 110.697 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -50.76 -49.68 57.56 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.68 0.792 . . . . 0.0 111.324 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.12 -42.85 30.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.5 1.12 . . . . 0.0 111.132 -169.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -92.51 -40.5 10.79 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.79 8.26 26.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.661 0.784 . . . . 0.0 112.654 -169.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.95 -37.14 42.66 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.129 1.771 . . . . 0.0 113.877 -169.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.05 95.26 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -90.6 -45.89 8.63 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.582 -170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -114.71 149.23 37.14 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 124.117 0.967 . . . . 0.0 109.847 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.62 162.75 6.15 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.15 144.44 53.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 169.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.58 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.826 1.65 . . . . 0.0 108.927 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -71.76 -35.0 69.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.449 1.499 . . . . 0.0 111.435 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.59 85.43 0.45 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.873 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -37.12 4.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.868 1.267 . . . . 0.0 113.034 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.85 -44.5 91.0 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.326 -0.859 . . . . 0.0 110.349 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.6 t -69.41 -44.98 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.502 HG21 ' HB3' ' B' ' 33' ' ' LYS . 1.3 m -58.74 -43.48 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 118.509 0.595 . . . . 0.0 110.003 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.72 -52.3 66.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 170.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -58.54 -44.79 89.73 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.33 0.968 . . . . 0.0 111.803 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 m -62.24 -34.64 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 O-C-N 121.373 -0.829 . . . . 0.0 109.865 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -51.84 67.58 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.66 -0.65 . . . . 0.0 110.348 171.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -52.91 -43.78 66.47 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.876 0.87 . . . . 0.0 109.707 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -55.12 -34.43 63.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.22 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.39 2.09 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -76.56 67.66 2.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.249 1.386 . . . . 0.0 111.675 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.8 -31.66 59.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.974 0.91 . . . . 0.0 110.828 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.19 -15.9 62.49 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.649 0.779 . . . . 0.0 110.829 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.07 25.99 18.81 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.148 0.88 . . . . 0.0 112.74 -176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -119.73 21.56 11.95 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.794 1.238 . . . . 0.0 109.811 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.92 -70.58 1.76 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 108.846 -1.701 . . . . 0.0 108.846 -169.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -53.05 153.12 3.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.308 0.643 . . . . 0.0 111.854 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 8.5 m -108.91 124.78 51.2 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.43 171.77 14.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.379 0.536 . . . . 0.0 110.924 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -47.51 -46.44 27.39 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.283 0.633 . . . . 0.0 111.179 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -54.65 -44.49 73.29 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.696 0.68 . . . . 0.0 111.868 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -72.88 -41.62 64.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.774 -0.579 . . . . 0.0 110.366 -175.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -52.21 -50.47 61.88 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.03 -37.61 87.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.308 0.643 . . . . 0.0 111.83 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -46.53 90.03 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.781 -0.575 . . . . 0.0 110.219 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.23 -50.38 74.23 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -47.97 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.033 0.533 . . . . 0.0 109.623 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.37 70.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 118.564 0.62 . . . . 0.0 112.141 -177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -58.66 -46.12 87.86 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.644 0.656 . . . . 0.0 110.916 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.2 mm -59.52 -52.16 64.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.537 0.684 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.3 m -55.85 -45.81 78.34 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.873 1.269 . . . . 0.0 110.394 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -61.99 -47.8 83.16 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.368 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.84 80.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.546 0.612 . . . . 0.0 110.804 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.6 t -61.21 -41.93 97.7 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.926 -0.484 . . . . 0.0 111.33 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.99 -49.1 78.83 Favored 'General case' 0 N--CA 1.454 -0.237 0 O-C-N 121.673 -0.642 . . . . 0.0 110.866 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -51.8 -47.28 64.33 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.235 0.614 . . . . 0.0 110.683 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.36 -56.36 22.02 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.343 0.592 . . . . 0.0 110.02 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -59.39 -36.77 76.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.16 1.384 . . . . 0.0 111.762 -172.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.44 -57.98 10.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.837 0.455 . . . . 0.0 110.613 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -81.84 71.61 8.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.266 0.555 . . . . 0.0 109.802 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.132 -1.413 . . . . 0.0 110.785 177.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -138.97 65.26 1.45 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.678 1.191 . . . . 0.0 108.545 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.8 mt -76.96 63.34 2.26 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.616 0.766 . . . . 0.0 109.779 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 64.95 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.688 1.995 . . . . 0.0 111.892 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 71.33 -51.17 0.69 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.672 1.989 . . . . 0.0 112.105 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -69.24 71.59 0.27 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.123 0.969 . . . . 0.0 110.094 172.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.22 76.45 0.36 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.571 1.148 . . . . 0.0 110.841 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -73.36 45.08 0.16 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.921 1.688 . . . . 0.0 112.744 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.26 8.14 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.163 0.985 . . . . 0.0 110.086 -175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.42 60.45 0.86 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.067 0.547 . . . . 0.0 110.15 176.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -82.17 -62.44 1.62 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.036 0.934 . . . . 0.0 109.37 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mp0 -54.78 -34.49 62.69 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.625 1.17 . . . . 0.0 110.538 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -41.81 -36.85 1.11 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.891 2.076 . . . . 0.0 112.755 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -48.97 -41.15 33.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.353 0.979 . . . . 0.0 111.006 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -97.28 -50.98 4.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.642 0.777 . . . . 0.0 109.039 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.69 -22.17 66.29 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.153 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -53.46 -42.76 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 119.506 1.048 . . . . 0.0 110.472 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.75 -43.97 82.69 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -60.75 -49.26 78.19 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.336 0.254 . . . . 0.0 110.393 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -54.46 -49.04 71.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.381 1.072 . . . . 0.0 110.197 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 61.8 m -60.43 -48.18 82.88 Favored 'General case' 0 C--O 1.223 -0.299 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -59.46 -35.77 74.7 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.714 -0.616 . . . . 0.0 111.406 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 53.1 mt -67.94 -11.19 58.31 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.94 55.04 0.47 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.09 -34.2 74.56 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.578 0.689 . . . . 0.0 110.556 -169.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.194 -1.384 . . . . 0.0 108.538 169.216 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 51.0 pttt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.55 -0.262 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -94.44 -55.16 3.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.295 1.038 . . . . 0.0 109.67 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -74.06 152.49 39.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -76.35 59.91 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 110.365 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -70.04 77.24 0.5 Allowed 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -75.59 39.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.774 1.629 . . . . 0.0 113.234 -169.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.72 58.04 2.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.096 0.958 . . . . 0.0 109.688 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -72.35 -0.56 12.69 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -169.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.02 68.98 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.499 -0.751 . . . . 0.0 109.61 171.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.59 52.65 0.66 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.476 1.11 . . . . 0.0 111.345 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -48.95 -36.06 16.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.963 1.305 . . . . 0.0 111.762 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -45.78 -30.74 1.74 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.905 1.682 . . . . 0.0 113.184 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 73.0 p -66.25 -22.98 66.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.037 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -47.29 -43.01 22.07 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -168.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -61.1 1.93 Allowed 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -57.7 -29.92 65.07 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.097 0.959 . . . . 0.0 110.786 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -33.59 8.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 174.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 -41.97 91.08 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.09 1.314 . . . . 0.0 111.452 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.98 -48.85 80.0 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.536 -0.728 . . . . 0.0 109.638 173.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -54.58 -43.32 72.01 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.17 -0.331 . . . . 0.0 110.196 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -60.91 -46.66 89.76 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.126 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 81.0 mtm-85 -60.43 -37.86 82.25 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.86 0.754 . . . . 0.0 111.28 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.64 -36.58 81.04 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.725 -0.609 . . . . 0.0 110.996 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.94 -41.23 99.93 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.46 -46.37 88.81 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.065 0.946 . . . . 0.0 108.925 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.41 -1.281 . . . . 0.0 110.57 170.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.251 0.072 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -50.12 -53.2 29.02 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.925 1.29 . . . . 0.0 112.197 -169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.61 -34.09 75.04 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.998 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -66.07 -42.77 88.98 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.473 0.579 . . . . 0.0 109.439 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -61.31 -50.55 72.51 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.39 -52.77 43.0 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.084 0.554 . . . . 0.0 110.461 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.03 -55.67 11.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 124.493 1.117 . . . . 0.0 111.223 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.1 -37.7 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.386 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.62 80.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.504 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.41 -52.86 63.07 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.503 1.047 . . . . 0.0 110.926 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 pt -65.07 -40.64 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.528 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -67.46 -51.13 55.08 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.54 0.609 . . . . 0.0 111.742 -176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -53.58 -50.3 50.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -54.36 -54.68 37.22 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.164 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -43.75 68.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.451 0.569 . . . . 0.0 110.663 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -57.46 -50.12 74.07 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.198 0.199 . . . . 0.0 110.614 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.62 -50.74 19.58 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.637 0.732 . . . . 0.0 110.12 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -49.92 -25.36 3.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.115 1.366 . . . . 0.0 113.902 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -36.96 60.79 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.67 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.1 mtt85 -74.72 -53.53 9.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.675 0.737 . . . . 0.0 112.177 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -139.59 104.63 4.97 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.21 -3.12 6.76 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.523 1.059 . . . . 0.0 111.793 -169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 46.94 49.81 14.32 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 126.548 1.939 . . . . 0.0 112.093 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm 77.45 -26.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.33 1.852 . . . . 0.0 113.31 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -93.54 -27.59 16.55 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.114 0.966 . . . . 0.0 111.698 -171.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -133.79 175.3 9.57 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 123.502 0.721 . . . . 0.0 111.287 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.7 mt -131.21 118.12 19.98 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -75.42 167.09 22.56 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -53.7 -40.45 66.01 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.366 0.666 . . . . 0.0 112.102 -171.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 p -54.77 -51.78 64.63 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.678 1.191 . . . . 0.0 110.736 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -68.72 -47.6 65.95 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.94 -51.47 66.03 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.929 0.892 . . . . 0.0 109.277 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -56.16 -61.47 2.37 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.309 0.644 . . . . 0.0 110.567 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.71 -39.22 93.29 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.136 -169.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 tp -54.3 -53.88 47.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.1 0.96 . . . . 0.0 109.879 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.09 -52.4 61.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 118.749 0.704 . . . . 0.0 110.408 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -54.1 -45.44 71.82 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.049 -0.407 . . . . 0.0 111.252 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -81.14 -41.21 22.8 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -102.23 -7.5 22.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -169.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 tp -124.15 17.85 9.16 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.955 1.252 . . . . 0.0 110.851 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -48.97 -47.12 44.35 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.014 2.126 . . . . 0.0 115.439 -169.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -66.47 -41.62 88.76 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.718 -0.614 . . . . 0.0 110.208 -176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -75.93 -60.4 2.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.883 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.02 126.66 44.78 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.651 0.781 . . . . 0.0 109.535 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -66.44 164.05 17.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.66 133.04 41.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.5 mm -79.41 -50.67 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.865 -169.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.3 52.8 pttt 54.62 -57.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 128.829 2.852 . . . . 0.0 116.2 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -67.12 100.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 120.162 1.346 . . . . 0.0 110.031 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -45.57 -35.3 3.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.903 1.281 . . . . 0.0 112.29 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -57.6 -40.82 79.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.248 0.619 . . . . 0.0 110.191 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.17 -36.97 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 121.844 -0.535 . . . . 0.0 110.027 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -50.46 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -55.02 -45.92 75.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.017 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -60.61 -50.62 72.77 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.734 -0.603 . . . . 0.0 111.7 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.84 -37.96 80.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.227 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -63.28 -48.84 76.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.807 174.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -52.53 -44.19 65.6 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 125.041 1.336 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -54.84 -31.63 59.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.553 0.741 . . . . 0.0 111.194 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.15 2.44 31.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.87 0.868 . . . . 0.0 113.14 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -77.3 67.61 3.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 120.455 1.48 . . . . 0.0 111.942 -170.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.9 p -54.34 -31.48 54.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.58 1.152 . . . . 0.0 111.025 173.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.14 -15.75 62.51 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.574 0.75 . . . . 0.0 110.981 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.25 30.74 25.6 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 123.741 0.686 . . . . 0.0 112.026 -173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -118.41 7.9 12.02 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.626 1.17 . . . . 0.0 110.686 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.55 -68.86 2.1 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -169.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -55.9 130.0 41.89 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.67 0.788 . . . . 0.0 110.082 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.5 m -96.8 128.07 43.39 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.84 167.85 21.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.608 0.64 . . . . 0.0 111.339 -177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -48.46 -45.69 36.92 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 119.055 -0.497 . . . . 0.0 112.296 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -53.52 -43.19 68.11 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.003 0.82 . . . . 0.0 111.531 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -73.47 -43.44 60.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.772 -0.58 . . . . 0.0 110.42 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -52.43 -47.4 66.4 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 169.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.4 tpt -65.98 -35.56 80.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.451 0.7 . . . . 0.0 111.173 -176.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.59 93.45 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.709 -0.619 . . . . 0.0 110.45 172.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.6 -49.77 76.49 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.5 t -51.04 -50.23 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 O-C-N 121.843 -0.535 . . . . 0.0 109.658 172.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.21 -52.52 64.97 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.76 0.709 . . . . 0.0 111.359 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.34 -44.64 92.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.764 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.39 -54.46 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.187 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -54.56 -47.42 73.25 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 m -63.81 -39.19 93.64 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.227 -0.295 . . . . 0.0 110.962 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.71 92.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.49 -0.756 . . . . 0.0 110.443 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.4 t -60.62 -49.28 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.335 -0.228 . . . . 0.0 110.927 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -50.25 -51.22 46.51 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.558 1.143 . . . . 0.0 110.996 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -62.79 -46.39 88.2 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -54.37 -31.83 55.55 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 122.035 -0.415 . . . . 0.0 110.594 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.23 -18.68 17.09 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.91 0.884 . . . . 0.0 111.768 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -52.21 -42.28 63.41 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.617 1.099 . . . . 0.0 109.392 169.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -73.85 71.41 1.5 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.093 -1.432 . . . . 0.0 110.648 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -57.21 -53.61 56.18 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.52 -41.53 85.69 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -60.26 -41.48 93.33 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.401 0.28 . . . . 0.0 110.741 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.15 -52.58 64.24 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.03 61.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.222 0.609 . . . . 0.0 111.013 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -54.57 -56.56 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.764 1.226 . . . . 0.0 111.193 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.37 -32.65 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.885 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.58 76.06 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.824 0.738 . . . . 0.0 110.58 172.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.43 -52.19 62.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.839 0.29 . . . . 0.0 110.247 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.01 -52.71 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.91 -51.05 69.72 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.603 0.761 . . . . 0.0 110.97 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.38 -55.56 20.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -49.76 -50.42 44.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 123.534 0.521 . . . . 0.0 110.079 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -52.56 -33.0 43.72 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.856 -0.592 . . . . 0.0 112.319 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -67.34 -52.45 40.09 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.823 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -60.88 -53.91 51.58 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.005 0.522 . . . . 0.0 111.885 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 36.0 p -61.04 -23.35 65.36 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.741 0.816 . . . . 0.0 111.511 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.38 -43.7 68.65 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 173.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtt-85 -63.07 -51.58 66.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.032 0.916 . . . . 0.0 110.47 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -134.61 105.86 6.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.42 -104.46 0.26 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -177.85 26.12 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.578 1.151 . . . . 0.0 111.694 -172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp 74.62 -17.02 0.5 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.28 -22.91 6.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.871 1.268 . . . . 0.0 113.852 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -120.04 147.45 44.8 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.337 1.055 . . . . 0.0 109.888 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 63.2 mt -109.66 130.66 55.49 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 109.775 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -77.69 168.89 19.23 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -54.44 -36.81 64.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.858 0.463 . . . . 0.0 112.196 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -63.42 -52.9 59.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.156 0.582 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -64.69 -47.4 78.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.64 -52.51 62.04 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.048 1.339 . . . . 0.0 109.331 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -55.08 -59.79 4.27 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.81 -49.26 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -50.99 -53.34 34.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.305 1.042 . . . . 0.0 110.908 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.75 -53.16 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.046 0.839 . . . . 0.0 110.308 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -51.78 -48.5 63.74 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.76 0.709 . . . . 0.0 110.264 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -65.3 -54.08 34.36 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 110.173 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -85.68 -42.51 14.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.42 49.69 1.34 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.815 1.189 . . . . 0.0 108.475 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -38.68 83.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 125.305 1.442 . . . . 0.0 112.876 -169.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -89.51 -43.11 11.05 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.22 -55.78 30.38 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.345 0.658 . . . . 0.0 111.877 -169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.24 129.29 55.39 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.924 0.89 . . . . 0.0 109.667 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -75.4 164.95 25.87 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -42.55 112.18 0.32 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.6 1.56 . . . . 0.0 113.291 -169.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -85.61 64.24 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.858 1.263 . . . . 0.0 108.08 -170.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -50.96 -61.42 2.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.455 1.102 . . . . 0.0 112.19 -169.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -65.67 105.02 1.14 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.802 0.441 . . . . 0.0 111.263 -169.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -23.44 41.82 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.954 -0.466 . . . . 0.0 112.065 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.98 -45.51 82.87 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.617 -0.677 . . . . 0.0 109.239 171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.79 -45.88 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 118.398 -0.81 . . . . 0.0 109.64 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -54.95 -45.74 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 119.665 1.121 . . . . 0.0 109.933 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.9 -52.79 63.77 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.004 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -60.37 -49.81 76.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.001 0.819 . . . . 0.0 112.047 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 m -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 119.136 -0.459 . . . . 0.0 111.749 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -83.04 -45.1 14.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.676 0.671 . . . . 0.0 111.258 172.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -52.8 -46.15 67.52 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 124.75 1.22 . . . . 0.0 110.992 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.3 t -57.44 -21.38 36.5 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.791 -0.623 . . . . 0.0 112.627 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.82 4.72 38.12 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.844 1.257 . . . . 0.0 111.709 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -74.2 70.61 1.63 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.432 1.015 . . . . 0.0 111.441 -172.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 75.8 p -52.17 -33.6 41.29 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.749 1.22 . . . . 0.0 111.203 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.88 -15.97 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.662 0.785 . . . . 0.0 111.413 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.98 31.17 24.56 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 123.88 0.752 . . . . 0.0 112.005 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.49 10.22 12.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.159 0.983 . . . . 0.0 110.792 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.6 -67.48 1.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -171.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -60.32 130.33 46.1 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 57.8 m -102.13 139.13 38.16 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.65 0.78 . . . . 0.0 109.784 -170.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.91 160.33 28.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.434 0.635 . . . . 0.0 111.55 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -47.55 -42.09 22.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.913 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -52.75 -42.27 64.78 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.987 0.515 . . . . 0.0 111.875 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -78.15 -39.73 40.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.585 0.754 . . . . 0.0 109.694 -175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.91 -48.64 67.07 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 169.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.43 87.32 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.948 0.499 . . . . 0.0 112.212 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.62 86.15 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.711 0.687 . . . . 0.0 111.319 174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.48 -52.39 64.7 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.737 0.78 . . . . 0.0 109.164 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 76.8 t -53.65 -37.28 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 O-C-N 121.807 -0.558 . . . . 0.0 110.603 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.68 62.79 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.177 -0.952 . . . . 0.0 111.517 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.83 -43.14 90.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.638 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -60.14 -57.42 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.079 0.551 . . . . 0.0 110.586 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -54.1 -46.05 71.99 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -57.46 -48.31 79.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.167 0.44 . . . . 0.0 110.807 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.98 80.3 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.799 0.727 . . . . 0.0 110.63 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.6 t -64.01 -32.46 74.01 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.535 -0.728 . . . . 0.0 111.983 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.65 -44.85 73.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.885 0.874 . . . . 0.0 109.8 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -54.76 -35.3 63.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.455 0.702 . . . . 0.0 110.548 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -62.13 1.51 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.113 0.482 . . . . 0.0 110.337 169.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.28 -35.69 70.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.2 -34.79 74.12 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.679 -0.638 . . . . 0.0 111.864 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -124.81 72.38 1.22 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.139 0.976 . . . . 0.0 109.078 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.055 -177.645 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.816 0.341 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -56.04 119.84 6.52 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.5 mt 53.8 36.55 24.28 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.436 1.094 . . . . 0.0 111.079 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -73.88 0.09 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.84 1.256 . . . . 0.0 108.036 -173.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 35.39 72.15 0.11 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.686 1.994 . . . . 0.0 112.07 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -47.96 -43.9 29.8 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.667 1.187 . . . . 0.0 113.203 -172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.98 44.2 0.46 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -81.03 56.09 2.68 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.887 -1.133 . . . . 0.0 109.69 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.97 22.63 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.018 0.927 . . . . 0.0 110.532 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -76.94 67.02 2.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.64 0.776 . . . . 0.0 109.935 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -27.46 0.88 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.709 2.004 . . . . 0.0 113.756 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -43.15 -37.01 1.89 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.419 1.488 . . . . 0.0 111.919 171.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -43.96 -37.48 2.94 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.802 1.241 . . . . 0.0 112.403 174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -50.35 -44.33 54.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.236 0.925 . . . . 0.0 111.153 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.24 -45.78 10.97 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.683 0.793 . . . . 0.0 109.708 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 67.9 mt -70.67 -3.18 17.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.343 0.657 . . . . 0.0 111.992 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -43.03 -52.44 5.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 127.892 2.477 . . . . 0.0 111.486 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.497 ' H ' HD12 ' C' ' 79' ' ' LEU . 5.4 mp -59.99 -56.16 25.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -52.72 -54.31 35.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.244 1.018 . . . . 0.0 109.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -52.9 -51.11 62.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.937 0.895 . . . . 0.0 110.283 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 85.8 m -60.58 -42.48 96.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.469 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -23.04 52.13 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -172.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.17 -32.36 72.1 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.737 0.699 . . . . 0.0 109.811 176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.56 73.43 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.988 -0.445 . . . . 0.0 112.385 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.56 -53.58 5.31 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.358 -1.306 . . . . 0.0 109.433 171.65 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 120.551 0.215 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.25 86.81 0.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 173.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.2 mt 64.87 -159.26 0.29 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -169.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 70.75 -50.16 0.67 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.191 1.396 . . . . 0.0 110.627 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 ptt-85 -50.24 -34.99 24.93 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.577 -0.702 . . . . 0.0 110.149 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 30.1 p -68.52 70.16 0.17 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.963 1.705 . . . . 0.0 109.746 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.72 100.51 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.325 1.45 . . . . 0.0 110.78 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -74.23 -1.39 20.33 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.265 -0.897 . . . . 0.0 113.119 -172.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.17 59.19 0.97 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.644 1.178 . . . . 0.0 111.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -57.79 -12.7 3.26 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.401 1.08 . . . . 0.0 113.695 -175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -46.57 -38.76 9.94 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.595 0.758 . . . . 0.0 109.442 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.1 -37.4 53.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.341 0.656 . . . . 0.0 112.492 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -3.07 55.48 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.233 1.013 . . . . 0.0 112.295 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.15 -49.26 64.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.567 1.076 . . . . 0.0 111.532 -172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -52.34 30.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -174.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt -55.78 -31.77 62.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.798 0.839 . . . . 0.0 111.533 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -56.34 -35.92 68.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.611 -0.68 . . . . 0.0 111.046 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.62 -47.86 81.9 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.5 1.045 . . . . 0.0 110.236 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -53.82 -49.59 68.03 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.207 -0.308 . . . . 0.0 110.193 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -44.88 77.3 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.016 0.526 . . . . 0.0 110.79 174.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.65 -45.83 92.61 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -67.17 -38.19 85.01 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.229 -0.294 . . . . 0.0 110.812 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.62 -39.9 73.46 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.84 0.456 . . . . 0.0 110.984 -175.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.4 58.54 0.43 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.38 -53.7 55.13 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.624 1.169 . . . . 0.0 109.621 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.236 176.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -44.97 -54.07 6.96 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.75 1.22 . . . . 0.0 112.371 -169.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.42 -38.39 83.91 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.339 -176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -63.3 -42.46 99.05 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.715 0.688 . . . . 0.0 109.727 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.48 -52.22 65.41 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.51 63.57 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.617 0.722 . . . . 0.0 110.944 175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.47 -54.65 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 124.001 0.92 . . . . 0.0 111.339 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 m -63.82 -32.83 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 119.517 1.053 . . . . 0.0 110.754 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.02 74.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.5 0.591 . . . . 0.0 110.617 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.53 -51.71 66.14 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.778 0.717 . . . . 0.0 110.609 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.3 mt -55.73 -52.91 43.13 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.08 -52.39 49.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.458 0.303 . . . . 0.0 110.579 -173.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t -55.06 -50.44 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -55.56 -53.35 57.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.598 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -55.06 -52.04 64.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.434 0.694 . . . . 0.0 110.972 -174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -62.39 -30.99 71.6 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.502 -176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -75.43 -56.24 4.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.975 0.807 . . . . 0.0 111.317 171.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.9 m -55.32 -38.9 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.608 1.163 . . . . 0.0 111.911 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.79 -25.25 58.7 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.528 -0.596 . . . . 0.0 112.362 178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -75.12 -49.72 18.69 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.253 1.027 . . . . 0.0 110.867 -174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -145.55 128.39 16.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.817 0.447 . . . . 0.0 110.247 173.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.21 -93.2 0.55 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.051 -2.419 . . . . 0.0 107.051 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -170.56 164.84 8.43 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -44.53 -36.5 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.766 1.166 . . . . 0.0 112.541 171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -95.44 -3.81 46.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.47 1.108 . . . . 0.0 113.124 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -142.21 128.73 20.19 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.804 1.184 . . . . 0.0 112.868 -169.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 mt -89.81 119.72 30.44 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.711 1.205 . . . . 0.0 111.159 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -77.85 154.15 32.05 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 168.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -27.24 55.11 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -53.72 -50.32 66.2 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.502 0.721 . . . . 0.0 109.806 169.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -75.81 -47.42 25.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.126 0.97 . . . . 0.0 109.424 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -41.32 73.29 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.25 0.62 . . . . 0.0 110.115 -177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -57.0 -61.59 2.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.801 -0.562 . . . . 0.0 110.443 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.66 -37.33 87.2 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.909 -0.494 . . . . 0.0 110.527 -175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.2 tm? -50.3 -56.27 11.97 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.033 0.933 . . . . 0.0 108.916 170.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.58 -51.23 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.651 1.114 . . . . 0.0 110.609 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -59.49 -45.14 92.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.43 0.559 . . . . 0.0 111.116 -174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.03 -43.14 45.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.815 0.846 . . . . 0.0 111.214 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.2 -42.23 13.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mp -103.84 38.02 1.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.366 1.066 . . . . 0.0 110.326 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -53.05 -31.94 44.18 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -102.33 -44.87 5.27 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.497 1.119 . . . . 0.0 109.982 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' B' ' 7' ' ' VAL . 5.5 m-85 -64.51 -25.18 67.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.545 0.738 . . . . 0.0 112.519 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tp -132.54 149.62 52.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.97 149.73 50.22 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.11 148.56 21.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.349 0.595 . . . . 0.0 109.481 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mt -86.33 -58.51 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.559 -168.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt 63.76 -71.28 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.902 1.281 . . . . 0.0 111.892 -172.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.9 mp0 -65.77 109.22 2.38 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.681 0.673 . . . . 0.0 110.786 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -27.01 14.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.077 0.951 . . . . 0.0 111.983 176.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.57 -43.05 84.22 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.73 0.812 . . . . 0.0 110.734 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.08 -51.5 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 p -54.47 -46.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.175 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -57.58 -46.13 84.39 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.12 -49.79 76.27 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 110.359 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -64.83 -40.28 88.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.617 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ttm -52.92 -52.08 59.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.019 0.827 . . . . 0.0 109.961 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.14 -46.94 69.03 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.505 0.722 . . . . 0.0 109.527 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -55.71 -29.74 59.96 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.41 1.83 35.85 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.661 1.119 . . . . 0.0 112.334 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.6 61.34 3.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 120.587 -1.32 . . . . 0.0 111.519 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.7 m -60.47 -26.95 67.16 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.518 -0.739 . . . . 0.0 111.68 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 -14.32 61.4 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.807 0.443 . . . . 0.0 111.571 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.1 31.18 61.54 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 118.716 0.689 . . . . 0.0 111.907 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.57 11.8 12.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.64 1.176 . . . . 0.0 110.424 -175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.01 -73.03 0.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 132.18 50.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.232 1.013 . . . . 0.0 110.228 -169.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -88.38 119.15 28.53 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 122.831 0.452 . . . . 0.0 110.056 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.51 161.32 30.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.811 0.444 . . . . 0.0 111.903 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.21 -48.55 62.01 Favored 'General case' 0 C--O 1.228 -0.065 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.58 -48.06 72.58 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.053 0.141 . . . . 0.0 110.622 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -63.8 -43.16 97.12 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.905 0.482 . . . . 0.0 111.486 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -51.82 -55.69 18.41 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 170.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.6 ttt -68.32 -28.95 67.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.883 -0.511 . . . . 0.0 112.068 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.09 97.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.187 0.595 . . . . 0.0 110.364 171.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -62.6 -49.85 73.58 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -51.81 -41.09 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 119.404 -0.331 . . . . 0.0 110.233 172.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.99 63.21 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.631 1.105 . . . . 0.0 111.665 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -64.29 -41.12 97.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 119.593 -0.843 . . . . 0.0 111.41 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mm -56.81 -55.29 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 122.548 0.339 . . . . 0.0 110.182 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.595 HG22 HG13 ' B' ' 7' ' ' VAL . 26.6 p -57.68 -48.3 79.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.167 0.587 . . . . 0.0 110.582 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -54.25 -51.0 65.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.808 0.277 . . . . 0.0 110.345 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.97 86.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 122.01 -0.431 . . . . 0.0 110.023 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.69 -41.24 99.0 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.287 -0.883 . . . . 0.0 111.409 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -53.33 -61.12 2.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.69 -39.72 77.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 119.509 -0.281 . . . . 0.0 111.338 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -61.07 2.9 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -68.33 -35.79 78.32 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.322 0.249 . . . . 0.0 111.279 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -52.26 -55.59 20.28 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.192 0.997 . . . . 0.0 109.715 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -81.14 69.95 7.86 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.533 -175.118 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -63.74 -41.22 98.08 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.562 0.745 . . . . 0.0 111.367 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.54 -43.23 68.24 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.47 0.577 . . . . 0.0 110.444 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -54.29 -41.46 68.94 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.706 0.685 . . . . 0.0 111.729 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.99 -51.32 67.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.527 0.603 . . . . 0.0 109.92 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.97 -46.61 68.32 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.739 0.781 . . . . 0.0 110.796 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 81' ' ' THR . 3.9 t -59.36 -55.19 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.618 1.167 . . . . 0.0 111.386 179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -61.4 -34.81 62.85 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 119.289 -0.965 . . . . 0.0 110.183 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -52.45 65.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.542 0.61 . . . . 0.0 110.818 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -55.48 -52.63 62.99 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.695 0.68 . . . . 0.0 110.87 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.39 -53.53 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.67 -52.27 58.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 119.522 -0.275 . . . . 0.0 110.577 -171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -56.84 -53.78 37.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -49.68 -51.89 34.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.314 0.384 . . . . 0.0 110.119 175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -63.54 -31.47 72.65 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.197 -174.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.06 -50.89 68.84 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 119.57 1.077 . . . . 0.0 109.849 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -59.52 -55.47 34.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.364 0.602 . . . . 0.0 109.705 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.6 m -54.3 -37.89 65.32 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.447 0.699 . . . . 0.0 112.01 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.24 -29.31 72.66 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 124.009 0.814 . . . . 0.0 111.088 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -70.05 -53.19 18.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 117.891 0.846 . . . . 0.0 109.921 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.19 103.86 4.05 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.323 0.249 . . . . 0.0 110.983 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.16 168.16 17.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -78.02 61.86 2.68 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 117.626 0.713 . . . . 0.0 110.858 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 65.64 -61.4 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 127.762 2.425 . . . . 0.0 112.914 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -101.81 25.87 8.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.578 1.551 . . . . 0.0 112.05 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -142.38 146.09 34.55 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.731 0.812 . . . . 0.0 110.89 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.3 mt -109.0 124.78 51.25 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.034 1.333 . . . . 0.0 110.848 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -70.46 167.65 17.85 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -35.87 69.3 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.665 1.121 . . . . 0.0 112.259 176.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 118.41 0.55 . . . . 0.0 109.778 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.81 -47.13 69.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.031 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.22 -50.11 70.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.185 1.394 . . . . 0.0 109.327 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -55.07 -59.64 4.48 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.82 -39.31 93.37 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.691 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.03 -54.61 28.02 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.957 0.903 . . . . 0.0 109.431 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mm -65.47 -50.71 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 118.789 0.722 . . . . 0.0 109.621 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -54.85 -51.82 64.7 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.301 0.572 . . . . 0.0 110.904 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -70.21 -48.93 54.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.525 0.73 . . . . 0.0 110.305 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -79.23 -44.37 21.92 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.909 -0.716 . . . . 0.0 111.712 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -88.2 43.49 1.13 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.125 1.33 . . . . 0.0 109.344 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.1 p -57.46 -40.98 79.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.091 1.356 . . . . 0.0 112.325 -173.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -93.07 -41.11 10.14 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.013 . . . . 0.0 108.915 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -59.27 -53.13 61.8 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.413 1.085 . . . . 0.0 111.871 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.35 153.06 31.67 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.44 168.09 20.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.7 131.47 50.05 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 122.127 0.965 . . . . 0.0 110.457 -172.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.5 71.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 108.199 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -46.04 -51.98 12.7 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.763 1.625 . . . . 0.0 111.821 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.3 95.49 5.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.175 0.59 . . . . 0.0 111.165 -170.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -40.83 -46.68 2.77 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.007 0.923 . . . . 0.0 110.652 169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -57.94 -35.19 70.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.62 0.368 . . . . 0.0 111.296 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.9 -46.34 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -47.85 82.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -54.69 -49.08 71.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.324 1.049 . . . . 0.0 110.559 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -60.96 -50.64 72.58 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.083 -0.386 . . . . 0.0 111.015 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.0 m -65.44 -46.2 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.366 -176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.3 ptm -61.55 -41.33 97.2 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.32 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.5 -46.66 70.14 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.271 0.487 . . . . 0.0 110.027 172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -27.83 58.97 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.925 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 42.3 mt -101.68 2.62 38.89 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.864 0.757 . . . . 0.0 112.529 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -76.67 71.6 3.27 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.104 -0.997 . . . . 0.0 110.587 -171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.5 p -50.44 -42.85 54.65 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.607 1.563 . . . . 0.0 111.525 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.27 -11.83 60.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.041 0.536 . . . . 0.0 112.372 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.1 37.0 69.83 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 119.262 0.937 . . . . 0.0 111.35 -175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -115.61 10.48 15.58 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.596 1.159 . . . . 0.0 110.31 -172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.07 -68.56 1.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -170.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.98 131.69 51.2 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.043 0.937 . . . . 0.0 111.148 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 132.62 36.76 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 122.869 0.467 . . . . 0.0 110.081 -170.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.77 160.73 28.19 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.387 0.675 . . . . 0.0 111.194 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -48.96 -49.99 37.83 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 122.429 0.292 . . . . 0.0 111.136 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -58.19 -34.13 70.02 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.798 -0.564 . . . . 0.0 112.2 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -73.8 -43.37 59.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.53 -48.58 65.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -43.2 99.24 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.878 0.471 . . . . 0.0 110.697 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.62 87.34 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.528 . . . . 0.0 111.019 174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -60.32 -53.22 60.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 109.528 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.96 -40.38 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.734 0.814 . . . . 0.0 109.973 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.6 -53.17 61.1 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.794 0.724 . . . . 0.0 111.121 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -64.6 -40.73 96.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.791 0.723 . . . . 0.0 111.605 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.38 -51.59 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.923 0.868 . . . . 0.0 109.637 175.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 99.7 m -62.56 -35.54 79.8 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.221 1.008 . . . . 0.0 110.358 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.6 m -61.73 -50.33 72.84 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.62 0.646 . . . . 0.0 109.706 173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.16 80.34 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.857 0.753 . . . . 0.0 110.704 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -63.77 -37.47 87.48 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -61.96 -51.32 68.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.38 -0.825 . . . . 0.0 110.158 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -53.79 -48.15 70.09 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.34 0.518 . . . . 0.0 110.163 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.22 -59.9 3.49 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-O 121.181 0.515 . . . . 0.0 110.541 172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -59.92 -36.11 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.791 1.237 . . . . 0.0 112.058 -173.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.27 -47.15 77.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.952 -0.468 . . . . 0.0 110.359 174.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -122.85 70.56 1.01 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.69 0.396 . . . . 0.0 110.147 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.564 -178.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -116.7 111.26 19.55 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 172.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 15.6 tp 71.2 -46.93 0.65 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.139 1.776 . . . . 0.0 112.258 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 75.29 0.74 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 170.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -164.99 -10.45 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.278 1.431 . . . . 0.0 112.371 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -76.0 45.41 0.35 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.094 1.758 . . . . 0.0 112.381 -171.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.54 -75.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.437 1.495 . . . . 0.0 108.918 -169.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -67.52 152.13 46.17 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.798 1.239 . . . . 0.0 109.282 169.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.65 -114.71 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.176 0.991 . . . . 0.0 109.504 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -109.45 -69.47 0.86 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.041 0.936 . . . . 0.0 111.526 -175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -47.29 -59.49 3.15 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.259 1.023 . . . . 0.0 111.332 -169.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -17.52 20.21 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 3.2 p -113.53 5.18 16.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.812 1.245 . . . . 0.0 112.249 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.63 -49.0 68.82 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.629 1.559 . . . . 0.0 110.793 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -42.4 32.28 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.284 1.833 . . . . 0.0 111.832 172.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 23.1 mt -91.07 -12.21 36.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.008 1.323 . . . . 0.0 111.172 -172.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -55.17 -26.48 39.18 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 124.132 0.973 . . . . 0.0 111.906 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.54 -41.55 76.99 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.637 -0.664 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -69.43 -42.81 74.51 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.417 -0.802 . . . . 0.0 110.102 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -55.07 -43.4 73.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.537 0.684 . . . . 0.0 109.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 25.6 m -61.21 -40.76 95.18 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.027 0.531 . . . . 0.0 110.138 174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -38.09 78.81 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 119.523 1.056 . . . . 0.0 111.518 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.67 -36.23 83.17 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.78 -50.82 56.6 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 169.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.03 -34.81 78.85 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.13 0.965 . . . . 0.0 111.777 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.254 1.302 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.326 -172.492 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.4 124.0 18.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 51.3 tp -167.19 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? 64.78 -67.6 0.12 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.925 2.09 . . . . 0.0 111.939 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 123.57 10.48 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.96 2.504 . . . . 0.0 111.657 -169.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m 65.96 -69.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.033 1.733 . . . . 0.0 113.534 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -35.02 -63.03 0.35 Allowed 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 127.016 2.126 . . . . 0.0 113.155 -169.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -116.33 27.27 9.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.437 0.695 . . . . 0.0 110.619 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.09 57.19 2.17 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.713 -0.617 . . . . 0.0 110.841 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -79.36 69.88 5.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.424 0.689 . . . . 0.0 109.232 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -43.76 -34.78 1.64 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.567 1.547 . . . . 0.0 111.781 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.75 -44.03 3.1 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.538 1.535 . . . . 0.0 111.35 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 46.3 p -48.13 -40.43 23.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.692 0.797 . . . . 0.0 112.182 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -48.35 -40.08 24.27 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.875 0.87 . . . . 0.0 112.066 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.09 -24.92 8.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.639 0.776 . . . . 0.0 112.896 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.06 -20.43 34.97 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.079 0.952 . . . . 0.0 112.279 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 23.3 ttp-105 -43.87 -39.72 4.08 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.205 1.402 . . . . 0.0 112.402 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . 0.401 ' H ' HD12 ' D' ' 79' ' ' LEU . 6.8 mp -56.52 -45.23 81.22 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.978 -0.451 . . . . 0.0 110.567 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -60.48 -52.84 63.48 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.565 0.746 . . . . 0.0 109.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -50.86 -46.86 60.43 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.376 0.67 . . . . 0.0 109.865 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -60.42 -50.44 73.59 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.229 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -62.4 -37.41 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.625 0.648 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 54.1 tp -64.53 -37.8 88.81 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.935 -0.478 . . . . 0.0 109.774 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.08 -33.32 10.3 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.835 1.684 . . . . 0.0 114.203 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.9 -33.92 75.1 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.519 1.159 . . . . 0.0 111.621 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.357 -173.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.476 0.827 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -54.73 -53.31 56.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 172.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.4 -49.26 77.6 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.06 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -63.7 -35.36 80.31 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.804 -0.56 . . . . 0.0 110.87 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.73 -53.53 56.32 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.86 -46.33 67.82 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.359 0.664 . . . . 0.0 111.186 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.34 -55.7 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.007 1.323 . . . . 0.0 110.694 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.44 -35.92 76.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 O-C-N 121.419 -0.8 . . . . 0.0 110.024 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.78 66.23 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.933 0.788 . . . . 0.0 110.769 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.29 -51.38 66.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.142 0.428 . . . . 0.0 110.779 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.74 -52.39 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.28 -51.2 70.55 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 110.734 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.58 -56.14 17.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.76 -52.71 63.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.543 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.1 -44.07 87.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.462 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -54.82 -51.11 66.86 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.12 0.418 . . . . 0.0 110.58 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -69.34 -53.6 18.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.298 0.571 . . . . 0.0 110.822 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.2 p -54.54 -35.0 62.76 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.719 0.808 . . . . 0.0 111.37 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.14 -29.64 75.05 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.957 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -72.76 -52.86 13.36 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.58 1.19 . . . . 0.0 110.008 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -143.77 124.18 13.91 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.92 0.488 . . . . 0.0 110.26 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.44 -103.21 0.56 Allowed Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 107.044 -2.423 . . . . 0.0 107.044 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -161.39 164.37 29.98 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -45.36 -32.19 1.95 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.546 0.738 . . . . 0.0 112.969 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -107.8 4.08 25.15 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.331 1.052 . . . . 0.0 112.826 -177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -142.82 129.62 20.46 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.158 1.345 . . . . 0.0 112.485 -169.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.08 120.93 30.92 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.281 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -73.17 160.44 31.96 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.263 0.938 . . . . 0.0 109.512 169.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.76 -38.45 67.22 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -52.71 -51.18 61.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.82 0.848 . . . . 0.0 109.976 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.76 -48.52 63.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.616 0.766 . . . . 0.0 109.74 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.49 -48.09 75.12 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.16 0.584 . . . . 0.0 109.999 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -55.95 -59.09 5.4 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.917 0.887 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -40.52 89.9 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -50.91 -54.45 23.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.765 0.826 . . . . 0.0 109.715 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.41 -54.37 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.552 0.614 . . . . 0.0 110.271 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -48.42 -49.12 36.37 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.193 0.52 . . . . 0.0 111.157 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -77.79 -54.0 6.85 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.379 1.072 . . . . 0.0 111.738 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -105.42 -5.94 19.93 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tp -106.58 26.64 9.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.845 1.202 . . . . 0.0 108.314 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -65.21 -44.43 88.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.052 2.541 . . . . 0.0 113.197 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -44.05 92.86 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 121.844 -0.535 . . . . 0.0 109.986 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -75.49 -61.76 1.8 Allowed 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.49 0.716 . . . . 0.0 109.649 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.65 143.83 32.54 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.32 1.048 . . . . 0.0 109.963 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -73.23 165.9 24.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -55.59 156.18 4.96 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.091 0.957 . . . . 0.0 112.434 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -131.4 96.28 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.052 1.341 . . . . 0.0 109.561 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -78.25 -31.07 48.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.503 1.521 . . . . 0.0 111.678 175.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 87.54 1.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.758 -0.589 . . . . 0.0 112.499 -171.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -46.69 -30.54 2.41 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.386 1.474 . . . . 0.0 112.115 169.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -67.82 -46.54 71.57 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.373 1.069 . . . . 0.0 110.295 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.53 -42.35 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.728 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 m -53.7 -45.73 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 119.401 1.0 . . . . 0.0 109.704 173.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.4 -48.95 77.75 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.688 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.67 -50.98 71.32 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.481 -0.762 . . . . 0.0 111.834 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.55 -29.95 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.23 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.5 ptm -82.08 -43.97 17.16 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.669 0.668 . . . . 0.0 110.979 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.93 -46.76 68.25 Favored 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 123.909 0.884 . . . . 0.0 110.231 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -22.15 42.65 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.994 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.8 -41.03 9.05 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.927 0.785 . . . . 0.0 110.57 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -50.64 91.75 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.072 1.349 . . . . 0.0 113.469 -170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -53.03 -36.34 60.44 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.25 -12.74 60.64 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.172 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.14 39.21 63.16 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-N 118.939 0.791 . . . . 0.0 112.725 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -118.1 21.3 12.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.438 1.495 . . . . 0.0 109.877 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.29 -63.32 1.75 Allowed Glycine 0 CA--C 1.528 0.845 0 O-C-N 121.301 -0.874 . . . . 0.0 111.099 -170.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.98 121.31 9.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.889 0.876 . . . . 0.0 111.806 -175.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.64 35.35 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -172.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.29 154.25 41.77 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.61 -45.4 48.08 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.103 0.41 . . . . 0.0 111.907 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -51.83 -45.9 64.12 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 122.831 0.452 . . . . 0.0 111.603 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -72.85 -38.97 66.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.893 -0.504 . . . . 0.0 110.304 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -53.5 -50.61 65.02 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 23.6 mtp -60.26 -38.24 82.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.2 89.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.561 0.618 . . . . 0.0 110.825 174.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.79 -53.09 61.95 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.25 -45.08 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.507 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.83 -53.15 61.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.163 0.892 . . . . 0.0 111.462 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.71 -45.19 87.64 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.06 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.84 -45.98 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-O 121.603 0.716 . . . . 0.0 109.991 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 HG13 ' B' ' 7' ' ' VAL . 40.3 m -65.15 -35.28 80.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.119 1.367 . . . . 0.0 110.25 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.4 m -66.28 -46.73 76.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.6 -0.688 . . . . 0.0 110.099 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.9 79.21 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.224 -0.922 . . . . 0.0 110.448 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.31 -40.94 87.85 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 122.697 0.399 . . . . 0.0 111.587 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.44 -56.36 21.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 C-N-CA 123.661 0.785 . . . . 0.0 109.747 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -48.97 67.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.171 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.14 -50.79 71.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 111.192 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -66.84 -37.24 84.11 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.238 1.415 . . . . 0.0 110.454 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -66.71 -66.78 0.51 Allowed 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -86.04 69.58 10.53 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.926 -1.512 . . . . 0.0 111.384 179.252 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -51.23 -47.19 62.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.639 0.776 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -52.95 -43.5 66.38 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.477 0.311 . . . . 0.0 111.242 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -68.85 -40.89 79.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.688 0.395 . . . . 0.0 110.071 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.05 -53.35 59.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.63 -54.21 24.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.382 0.673 . . . . 0.0 109.832 175.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 81' ' ' THR . 6.0 t -53.44 -53.62 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.723 0.809 . . . . 0.0 112.268 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.94 -33.14 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 119.684 1.129 . . . . 0.0 110.872 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.28 82.19 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.859 0.754 . . . . 0.0 110.838 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 74.8 mt -54.75 -52.42 62.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.451 0.569 . . . . 0.0 109.916 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -57.5 -53.15 48.09 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.296 0.638 . . . . 0.0 109.283 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.09 -51.57 67.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.98 0.512 . . . . 0.0 110.596 -172.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.68 -52.03 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -52.1 -52.97 48.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.607 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -61.44 -44.25 97.45 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.79 0.836 . . . . 0.0 110.05 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -46.49 62.96 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.033 0.933 . . . . 0.0 110.77 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -72.36 -55.8 6.51 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.484 0.659 . . . . 0.0 111.33 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.6 m -50.73 -43.51 58.0 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.989 1.316 . . . . 0.0 112.324 -175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.06 -26.6 58.66 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-O 119.271 -0.738 . . . . 0.0 112.487 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -71.47 -50.69 29.2 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.511 1.155 . . . . 0.0 110.556 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -145.78 121.23 10.33 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.175 0.59 . . . . 0.0 110.402 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.26 -96.8 0.45 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 107.029 -2.429 . . . . 0.0 107.029 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -160.84 165.48 30.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -41.65 -44.88 3.25 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.383 0.538 . . . . 0.0 111.21 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -92.99 -0.51 57.19 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.517 -1.23 . . . . 0.0 113.349 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -142.88 136.91 29.14 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 120.648 1.567 . . . . 0.0 113.855 -169.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.25 118.46 31.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.444 1.497 . . . . 0.0 111.043 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.77 163.98 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 168.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -52.83 -39.78 62.75 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.224 1.01 . . . . 0.0 112.747 -171.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -51.09 67.87 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.538 1.135 . . . . 0.0 110.717 173.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -69.09 -45.92 69.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.67 -49.83 69.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.132 0.973 . . . . 0.0 109.232 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.01 -61.5 2.27 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 122.903 0.481 . . . . 0.0 110.129 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.14 -39.46 94.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.725 -173.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.37 -55.78 19.32 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.572 1.149 . . . . 0.0 109.455 176.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.15 -50.89 59.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.73 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -48.31 -57.85 5.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.299 0.571 . . . . 0.0 110.666 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -71.42 -55.05 8.69 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.797 -171.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -73.69 -41.45 62.61 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.112 -170.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 tp -90.12 9.56 27.79 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.816 0.735 . . . . 0.0 111.453 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.3 p -47.63 -43.31 25.85 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.4 1.88 . . . . 0.0 113.649 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -32.02 67.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.7 -49.47 12.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 111.059 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 165.35 25.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.252 0.933 . . . . 0.0 113.471 -172.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -70.27 165.28 22.57 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.286 0.634 . . . . 0.0 110.918 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.17 155.24 11.61 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.492 0.717 . . . . 0.0 111.14 175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.412 HG23 ' CZ ' ' D' ' 76' ' ' PHE . 3.0 mt -125.05 89.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.75 1.62 . . . . 0.0 106.885 -175.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -84.19 -53.3 5.61 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.885 1.274 . . . . 0.0 110.562 -171.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.91 104.77 0.49 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.75 0.82 . . . . 0.0 110.921 -169.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -52.0 -32.75 35.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.039 0.535 . . . . 0.0 111.401 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -45.39 83.16 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.684 -0.635 . . . . 0.0 109.634 175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.96 -42.46 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.055 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -57.92 -47.1 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 119.52 1.055 . . . . 0.0 109.716 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.76 -44.73 82.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.985 0.914 . . . . 0.0 110.59 175.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.06 -50.69 72.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 121.976 -0.452 . . . . 0.0 110.363 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.29 -40.64 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.261 0.937 . . . . 0.0 111.541 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -47.98 83.88 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 117.73 -1.588 . . . . 0.0 110.709 170.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -52.27 -46.64 65.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.263 0.938 . . . . 0.0 110.392 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 m -54.1 -33.79 58.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.965 1.306 . . . . 0.0 110.945 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.5 mt -103.11 0.38 31.81 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -78.49 67.5 4.28 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 119.638 1.108 . . . . 0.0 110.891 -169.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -60.78 -23.18 64.81 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.593 0.357 . . . . 0.0 111.046 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.71 -15.58 61.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.575 0.75 . . . . 0.0 111.529 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.2 30.7 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -116.58 1.33 12.87 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 123.795 0.838 . . . . 0.0 110.832 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.91 2.3 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -169.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.07 121.28 12.08 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -87.61 126.31 34.87 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -172.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.7 161.2 29.28 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -47.93 -44.15 29.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.921 0.888 . . . . 0.0 111.248 174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 -55.23 -42.88 73.99 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.095 0.407 . . . . 0.0 111.529 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -71.43 -42.73 67.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 109.682 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -52.96 -50.07 64.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.739 0.416 . . . . 0.0 110.63 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 93.3 mmm -56.17 -39.49 72.43 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.246 0.476 . . . . 0.0 110.851 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.87 96.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.838 -0.539 . . . . 0.0 111.811 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.31 -52.46 65.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.651 0.738 . . . . 0.0 109.379 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.34 -46.4 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 123.403 0.681 . . . . 0.0 109.36 175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.43 -52.59 64.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.873 -0.584 . . . . 0.0 112.043 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptp -58.53 -48.87 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.905 0.775 . . . . 0.0 110.87 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.9 mm -59.47 -52.71 57.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.328 0.585 . . . . 0.0 109.464 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -59.32 -41.76 89.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.209 0.604 . . . . 0.0 109.907 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.5 m -61.17 -48.59 80.85 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 118.957 0.799 . . . . 0.0 110.527 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.59 78.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.459 0.647 . . . . 0.0 109.922 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.2 t -60.69 -34.13 73.89 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.813 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -67.68 -48.71 65.83 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.027 0.931 . . . . 0.0 109.436 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.22 -47.75 74.88 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.38 -52.21 60.05 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.894 0.478 . . . . 0.0 110.909 174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.39 -35.95 82.57 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.668 0.387 . . . . 0.0 111.325 -174.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.89 -69.13 0.25 Allowed 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -89.62 70.14 7.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.676 -177.223 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.858 0.361 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -91.24 -12.29 35.66 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.59 0.756 . . . . 0.0 111.465 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 64.8 tp -131.64 153.3 50.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 71.57 -53.47 0.68 Allowed 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.69 1.596 . . . . 0.0 109.944 -169.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 71.54 -68.03 0.23 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 126.623 1.969 . . . . 0.0 108.454 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -67.69 130.63 43.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.267 1.027 . . . . 0.0 109.822 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.01 66.53 1.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -78.18 53.04 1.17 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.573 0.749 . . . . 0.0 111.927 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.09 -178.77 4.3 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.118 1.367 . . . . 0.0 107.634 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 73.45 -49.48 0.69 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.942 1.697 . . . . 0.0 112.662 174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -50.32 -33.11 19.01 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.849 1.26 . . . . 0.0 113.539 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 pm0 -46.04 -33.0 3.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.354 1.062 . . . . 0.0 113.567 172.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 38.3 m -50.14 -32.21 15.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.626 1.17 . . . . 0.0 111.64 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -47.05 -40.65 15.36 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.659 0.784 . . . . 0.0 111.404 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -95.35 -50.86 4.83 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.13 -31.72 61.51 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.281 0.632 . . . . 0.0 111.38 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -43.82 -47.19 8.09 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.972 1.309 . . . . 0.0 111.325 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.47 -61.01 2.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.523 0.601 . . . . 0.0 109.608 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -37.27 76.65 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.955 -0.465 . . . . 0.0 111.132 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.45 -48.89 76.1 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 122.127 -0.358 . . . . 0.0 110.167 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -61.08 -46.28 91.28 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.105 0.412 . . . . 0.0 110.073 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -62.44 -37.47 86.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.992 -0.442 . . . . 0.0 111.03 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.96 -40.49 68.61 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -37.9 84.22 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 125.128 1.347 . . . . 0.0 111.641 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.37 -25.57 59.68 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.137 0.468 . . . . 0.0 111.354 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.165 1.386 . . . . 0.0 112.591 169.376 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.514 0.673 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.91 110.16 1.47 Allowed 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 37.1 mt 66.36 32.8 7.42 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.289 1.436 . . . . 0.0 111.629 -174.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.36 -45.39 0.58 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.142 1.777 . . . . 0.0 113.44 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 43.65 62.09 2.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.312 1.845 . . . . 0.0 113.851 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -35.66 6.9 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.233 1.813 . . . . 0.0 113.383 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.78 -8.42 6.79 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.54 135.27 6.55 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.992 0.815 . . . . 0.0 111.029 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.55 -58.96 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.157 1.783 . . . . 0.0 112.187 -173.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.34 58.6 2.63 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.795 0.838 . . . . 0.0 109.91 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -43.5 9.36 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.451 1.1 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -43.8 -30.8 0.71 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.079 1.752 . . . . 0.0 113.765 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -38.42 -44.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.083 0.953 . . . . 0.0 111.782 169.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.65 -30.22 20.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.161 0.984 . . . . 0.0 113.266 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . 0.412 ' CZ ' HG23 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -105.71 -49.77 3.34 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.766 0.712 . . . . 0.0 110.822 170.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 55.7 mt -58.64 -16.41 15.98 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -44.79 -35.12 2.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.734 0.814 . . . . 0.0 110.599 169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . 0.438 HD13 ' H ' ' D' ' 80' ' ' LYS . 0.0 OUTLIER -56.19 -48.65 75.96 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.187 177.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . 0.438 ' H ' HD13 ' D' ' 79' ' ' LEU . 51.4 pttt -73.48 -40.08 64.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.416 -0.802 . . . . 0.0 109.501 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -53.7 -51.15 64.17 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -68.08 -51.24 48.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.471 0.708 . . . . 0.0 110.587 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -65.78 -36.34 83.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.936 -0.478 . . . . 0.0 111.18 -172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.5 -40.54 76.94 Favored 'General case' 0 C--O 1.227 -0.106 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.03 -37.99 30.78 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.123 1.345 . . . . 0.0 112.737 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.98 -33.8 69.28 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.168 0.984 . . . . 0.0 112.114 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.475 1.11 . . . . 0.0 111.491 -176.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -46.78 -51.74 15.69 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.139 1.376 . . . . 0.0 110.654 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.66 -41.45 98.2 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.049 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.56 -41.62 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.642 0.655 . . . . 0.0 110.444 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -58.69 -54.08 51.16 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.68 -53.38 31.66 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.347 1.059 . . . . 0.0 110.385 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' B' ' 43' ' ' PHE . 10.8 t -54.78 -55.58 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 125.248 1.419 . . . . 0.0 111.499 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.34 -36.94 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 119.432 1.015 . . . . 0.0 110.896 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.36 65.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.973 0.806 . . . . 0.0 110.627 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.26 -50.41 67.3 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.154 0.582 . . . . 0.0 109.949 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -58.47 -52.9 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 117.562 0.165 . . . . 0.0 110.562 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.87 -51.26 70.45 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.339 0.656 . . . . 0.0 111.287 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.31 -49.59 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -53.12 -50.26 64.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 119.599 -0.239 . . . . 0.0 110.908 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -53.48 -53.26 54.05 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.234 0.614 . . . . 0.0 109.546 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -58.95 -52.44 65.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.13 -176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.68 -51.24 70.21 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.2 m -56.7 -23.77 44.5 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.167 1.387 . . . . 0.0 113.349 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.73 -42.64 12.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 174.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -59.63 -54.42 46.69 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.094 0.447 . . . . 0.0 111.139 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -142.43 101.78 3.96 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 169.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.31 -161.2 32.39 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -118.08 20.63 13.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.203 1.001 . . . . 0.0 110.711 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt 68.77 -50.21 0.58 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.382 1.473 . . . . 0.0 111.624 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -77.67 -15.96 58.82 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.726 1.61 . . . . 0.0 112.316 173.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -142.25 146.06 34.73 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.12 0.873 . . . . 0.0 111.135 -170.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -103.73 133.18 49.16 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.092 2.157 . . . . 0.0 110.705 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -72.05 171.81 11.22 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.279 0.945 . . . . 0.0 110.491 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -57.1 -38.22 73.05 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 122.625 0.37 . . . . 0.0 111.167 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.89 -52.12 66.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 121.83 -0.544 . . . . 0.0 109.614 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.48 -45.03 85.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.255 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.85 -48.43 75.54 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.335 1.054 . . . . 0.0 108.969 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -55.85 -59.2 5.22 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.816 -0.552 . . . . 0.0 110.455 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.26 -43.26 91.87 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.666 -0.646 . . . . 0.0 109.555 -171.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.2 tp -55.8 -51.84 66.05 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.922 0.889 . . . . 0.0 110.905 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -50.73 79.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 O-C-N 121.677 -0.639 . . . . 0.0 110.09 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -52.03 -42.78 63.34 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.948 1.249 . . . . 0.0 110.849 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -65.99 -43.22 88.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.833 1.253 . . . . 0.0 112.347 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -87.66 -41.51 13.32 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 112.24 -171.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.77 27.3 7.64 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.666 1.586 . . . . 0.0 111.831 -169.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -53.46 -41.52 66.26 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.4 -7.03 59.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.648 1.179 . . . . 0.0 111.805 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.39 -57.85 1.97 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.969 1.308 . . . . 0.0 111.083 -169.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.56 159.53 19.49 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 124.629 1.172 . . . . 0.0 109.38 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -68.24 167.71 13.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 169.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.31 128.66 36.78 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.874 -0.516 . . . . 0.0 110.616 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mm -81.36 58.33 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 O-C-N 121.615 -0.678 . . . . 0.0 109.392 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -65.81 -49.53 67.92 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.636 -0.665 . . . . 0.0 111.206 -175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.56 114.7 14.43 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.921 0.488 . . . . 0.0 109.779 -173.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -55.06 -28.18 50.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.664 0.786 . . . . 0.0 112.597 -176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.35 -39.12 72.35 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.841 -0.537 . . . . 0.0 110.199 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.66 -52.68 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -174.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -56.39 -46.98 82.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.817 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.86 -50.44 70.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.15 -49.92 73.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.127 -0.358 . . . . 0.0 111.283 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.9 m -65.08 -41.71 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.213 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.8 ptm -61.01 -50.65 72.52 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.952 0.796 . . . . 0.0 109.341 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.37 -45.09 65.63 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.006 0.922 . . . . 0.0 109.831 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.6 m -55.31 -32.77 62.72 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.076 0.951 . . . . 0.0 111.701 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.24 3.53 32.84 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.404 1.002 . . . . 0.0 112.898 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -74.88 67.64 1.67 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.053 1.297 . . . . 0.0 111.866 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -53.31 -32.89 51.06 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.348 1.459 . . . . 0.0 110.868 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -71.82 -15.74 62.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.896 0.878 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.36 33.94 25.2 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 123.807 0.718 . . . . 0.0 111.96 -174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -117.89 9.26 12.81 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.102 0.961 . . . . 0.0 110.217 -172.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.2 -71.63 1.2 Allowed Glycine 0 C--N 1.338 0.647 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -169.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.88 134.09 56.02 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 122.747 0.419 . . . . 0.0 110.225 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.1 m -103.21 134.55 46.44 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.665 0.786 . . . . 0.0 110.74 -169.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.74 161.95 27.32 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.688 0.756 . . . . 0.0 112.207 -170.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -46.04 -48.95 16.77 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.586 1.554 . . . . 0.0 110.6 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -59.63 -39.68 85.11 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.945 -0.472 . . . . 0.0 111.529 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -70.53 -40.0 73.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.831 0.452 . . . . 0.0 109.82 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.77 -54.33 35.49 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -56.8 -46.32 81.64 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.388 0.54 . . . . 0.0 111.985 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.88 90.25 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 111.578 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -66.0 -53.09 43.18 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.2 t -54.39 -35.95 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 123.018 0.527 . . . . 0.0 109.887 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -54.82 42.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.735 0.698 . . . . 0.0 111.258 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -65.84 -39.37 90.73 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.808 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.83 -51.31 69.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 121.175 0.512 . . . . 0.0 109.764 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 m -63.56 -37.57 87.83 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.7 m -58.33 -50.83 72.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.703 0.683 . . . . 0.0 110.291 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.35 -46.9 79.76 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.52 -0.737 . . . . 0.0 110.506 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 48.9 t -66.24 -34.97 79.22 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.606 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.29 -53.4 53.45 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 109.522 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -51.54 -47.9 63.22 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 122.798 0.439 . . . . 0.0 110.15 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.65 -64.83 0.71 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.293 0.637 . . . . 0.0 110.959 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.7 -37.19 78.17 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.071 0.548 . . . . 0.0 112.404 -169.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -14.71 61.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.686 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -123.84 69.13 1.04 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 171.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.505 -1.712 . . . . 0.0 111.398 -178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.738 0.304 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.36 -40.41 49.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.36 1.064 . . . . 0.0 109.742 169.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.4 -38.43 49.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -60.38 -41.1 93.05 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 173.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -61.5 -50.74 71.49 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.216 1.006 . . . . 0.0 109.288 177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.49 -54.14 24.5 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.702 0.801 . . . . 0.0 110.665 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -52.7 -55.54 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.567 1.147 . . . . 0.0 110.468 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -66.84 -32.1 56.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 121.238 -0.914 . . . . 0.0 111.707 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.48 90.17 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 119.538 1.063 . . . . 0.0 110.872 176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.09 -49.8 70.77 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.34 -50.65 76.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.962 0.411 . . . . 0.0 110.158 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.44 -52.2 62.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.428 1.091 . . . . 0.0 110.208 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.65 -56.71 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.41 -52.93 60.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.773 -170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -60.56 -44.2 96.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.44 0.564 . . . . 0.0 110.63 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.88 -43.84 69.93 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.905 0.482 . . . . 0.0 111.416 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -74.85 -56.12 5.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.193 0.597 . . . . 0.0 111.913 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.3 p -57.17 -35.43 69.54 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 123.885 0.874 . . . . 0.0 111.801 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.26 -27.34 62.77 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 119.333 -0.704 . . . . 0.0 112.309 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -75.21 -54.01 7.83 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.439 1.12 . . . . 0.0 110.909 -171.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -142.01 121.9 13.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.949 0.9 . . . . 0.0 109.106 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.53 -109.51 1.59 Allowed Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 104.272 -3.531 . . . . 0.0 104.272 -169.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.91 174.73 7.24 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -42.54 -31.46 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.761 1.225 . . . . 0.0 114.08 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -112.68 1.05 15.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.515 1.126 . . . . 0.0 113.005 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -143.03 135.49 27.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.565 1.075 . . . . 0.0 112.895 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 48.7 mt -94.22 122.06 36.38 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.416 1.487 . . . . 0.0 110.763 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -78.38 166.23 22.89 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.992 0.815 . . . . 0.0 109.664 169.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.92 -39.77 63.07 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.705 1.202 . . . . 0.0 113.296 -169.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -59.66 -45.6 91.54 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.305 0.574 . . . . 0.0 110.381 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -73.22 -44.89 58.84 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.83 -49.0 74.48 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.402 0.681 . . . . 0.0 109.662 177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -54.74 -59.35 4.84 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.61 -50.26 72.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.426 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.2 tm? -48.52 -54.82 12.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.829 1.652 . . . . 0.0 109.977 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.24 -55.88 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 119.022 0.828 . . . . 0.0 110.693 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.85 -48.52 75.38 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.79 0.723 . . . . 0.0 110.466 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -69.5 -54.54 13.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.093 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -82.49 -44.71 15.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.688 -172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.22 44.15 1.18 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.795 1.18 . . . . 0.0 108.789 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.72 70.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.978 0.911 . . . . 0.0 111.575 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -103.13 -43.61 5.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.391 1.076 . . . . 0.0 110.034 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' A' ' 7' ' ' VAL . 4.1 m-85 -66.44 -27.38 67.78 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 118.387 -0.816 . . . . 0.0 113.062 -174.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.01 169.6 16.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.429 1.091 . . . . 0.0 110.387 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.49 166.9 15.12 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.958 0.903 . . . . 0.0 109.828 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.72 134.76 51.64 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.562 0.745 . . . . 0.0 109.013 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mm -89.95 -56.11 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.703 0.801 . . . . 0.0 109.86 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt 64.65 -66.08 0.13 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.892 2.077 . . . . 0.0 114.28 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -74.02 119.84 18.79 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.878 0.871 . . . . 0.0 111.307 -169.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -51.62 -37.81 51.84 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.158 1.383 . . . . 0.0 111.003 -176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.17 -40.9 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.647 0.779 . . . . 0.0 110.478 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.53 -50.55 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -48.83 54.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.7 -47.4 82.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.59 -50.55 73.08 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.803 0.729 . . . . 0.0 110.852 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.986 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.7 ptm -62.07 -51.04 69.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.815 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.61 -43.68 65.53 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.663 1.185 . . . . 0.0 110.16 -177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 59.6 m -55.32 -32.65 62.64 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.183 0.993 . . . . 0.0 111.363 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.82 0.55 30.45 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.947 0.794 . . . . 0.0 112.696 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -75.06 72.0 2.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 120.109 1.322 . . . . 0.0 112.446 -169.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 94.8 p -48.68 -36.67 16.58 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.891 1.276 . . . . 0.0 111.478 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.85 -16.13 62.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.476 0.711 . . . . 0.0 111.32 -175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 49.81 31.59 16.73 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.88 0.752 . . . . 0.0 112.097 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -118.25 13.2 13.66 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.368 1.067 . . . . 0.0 109.943 -171.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 -74.43 0.99 Allowed Glycine 0 C--N 1.336 0.562 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -169.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -55.91 125.88 23.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.063 0.545 . . . . 0.0 110.564 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.69 129.95 44.01 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.284 1.034 . . . . 0.0 109.683 -169.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.23 160.9 28.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.0 0.52 . . . . 0.0 110.698 -175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -47.02 -45.45 21.22 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 122.546 0.338 . . . . 0.0 110.142 171.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -52.59 -42.94 64.98 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.211 -0.306 . . . . 0.0 111.73 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -76.39 -39.94 52.3 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.975 -0.453 . . . . 0.0 110.536 -175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.98 -51.16 59.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -37.56 86.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 122.597 0.359 . . . . 0.0 111.241 -177.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.33 90.06 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.461 -0.774 . . . . 0.0 111.049 172.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -62.9 -50.19 71.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.7 t -51.85 -42.07 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.675 -0.641 . . . . 0.0 110.847 173.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.02 -53.16 61.42 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 118.976 0.807 . . . . 0.0 110.858 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.6 ptp -58.91 -46.61 87.5 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.484 0.584 . . . . 0.0 110.77 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.64 -51.6 64.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 123.412 0.685 . . . . 0.0 110.238 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.3 m -62.14 -50.2 72.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.982 0.913 . . . . 0.0 109.485 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -57.98 -44.93 87.39 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 122.215 -0.303 . . . . 0.0 110.206 -178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.12 -45.56 92.57 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.822 0.449 . . . . 0.0 110.565 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 41.7 t -60.67 -42.64 97.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.803 -0.561 . . . . 0.0 111.28 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -54.52 41.53 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.805 0.842 . . . . 0.0 109.402 174.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.78 -46.06 64.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.356 0.526 . . . . 0.0 110.579 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.48 -53.97 52.05 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.324 0.583 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -67.26 -35.65 79.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.691 0.796 . . . . 0.0 111.636 -173.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.3 -64.11 0.93 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.397 0.544 . . . . 0.0 109.681 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -86.07 72.12 10.47 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.367 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.852 -0.055 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 76.27 -54.24 0.6 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.068 1.747 . . . . 0.0 110.926 173.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.16 85.26 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.314 1.046 . . . . 0.0 109.304 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 73.66 -57.95 0.61 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.471 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -67.58 66.83 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.227 1.811 . . . . 0.0 109.434 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.2 p -80.93 69.05 7.42 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.546 1.538 . . . . 0.0 108.193 -174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.44 -89.76 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.258 1.823 . . . . 0.0 110.579 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.5 -27.46 62.28 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.908 0.483 . . . . 0.0 110.495 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 80.48 123.48 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.816 2.046 . . . . 0.0 111.824 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -44.3 -52.34 7.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.103 1.361 . . . . 0.0 111.939 -173.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -47.55 -45.41 26.9 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.038 0.935 . . . . 0.0 112.051 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.565 0.346 . . . . 0.0 110.816 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 40.3 p -66.9 -28.8 68.6 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.526 -0.734 . . . . 0.0 111.476 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -48.17 -50.35 29.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.33 0.968 . . . . 0.0 112.393 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.91 -33.68 57.34 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.736 0.814 . . . . 0.0 112.0 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 44.3 mt -89.98 -37.97 13.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.828 1.251 . . . . 0.0 109.225 -173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -35.98 78.45 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 121.406 -0.809 . . . . 0.0 109.761 172.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.85 -51.98 46.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.772 0.715 . . . . 0.0 110.057 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -55.39 -53.47 55.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -53.2 -42.57 66.42 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.5 m -61.04 -44.64 97.09 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.292 0.637 . . . . 0.0 109.484 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -65.8 -35.27 80.22 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.067 -0.396 . . . . 0.0 111.012 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.87 -38.8 87.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.387 0.994 . . . . 0.0 109.454 169.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.74 -21.87 10.57 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 127.603 2.525 . . . . 0.0 115.999 -169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.66 -37.48 63.19 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.86 1.33 . . . . 0.0 109.855 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.281 169.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.278 0.085 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.94 75.58 0.64 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.066 0.947 . . . . 0.0 109.42 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 41.2 mt 71.93 166.22 0.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.41 1.884 . . . . 0.0 109.416 -169.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 55.87 40.2 30.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.607 0.763 . . . . 0.0 109.509 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -45.93 -35.21 4.45 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.924 0.89 . . . . 0.0 113.205 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m 75.07 -56.16 0.63 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.602 1.161 . . . . 0.0 109.141 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.18 68.47 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.209 1.004 . . . . 0.0 108.76 169.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.26 152.72 29.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.868 1.667 . . . . 0.0 108.612 -177.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.19 9.81 5.73 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.111 0.964 . . . . 0.0 111.603 174.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 66.65 -72.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.772 1.629 . . . . 0.0 111.529 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -61.58 -62.75 1.59 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.616 0.644 . . . . 0.0 110.31 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -57.23 -38.13 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 -174.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -26.71 64.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.469 -1.253 . . . . 0.0 112.62 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -48.49 -42.74 33.8 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.191 1.36 . . . . 0.0 110.717 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.84 -57.83 2.68 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.14 -25.11 61.04 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -23.1 9.97 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 118.817 0.735 . . . . 0.0 112.786 176.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.71 -31.88 49.83 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.326 0.966 . . . . 0.0 112.015 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -54.94 -41.46 71.07 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.734 0.414 . . . . 0.0 110.884 174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -56.51 -50.03 72.99 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -62.35 -52.14 64.81 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.972 -0.455 . . . . 0.0 111.089 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -59.4 -37.1 77.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.134 0.574 . . . . 0.0 111.832 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.3 -39.93 14.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.214 0.461 . . . . 0.0 109.993 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.33 -33.65 76.78 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.372 0.987 . . . . 0.0 113.137 -171.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 57.3 tp -54.97 -33.82 62.78 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.292 1.046 . . . . 0.0 110.923 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 116.918 -1.515 . . . . 0.0 109.584 177.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -53.57 -53.05 57.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.498 0.719 . . . . 0.0 111.384 -169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.53 -49.47 74.66 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.229 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -59.46 -45.06 92.7 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.958 0.503 . . . . 0.0 110.596 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -58.84 -55.93 28.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.52 -53.26 31.5 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.521 0.728 . . . . 0.0 110.098 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -53.72 -54.84 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.64 1.176 . . . . 0.0 111.82 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.1 m -62.79 -34.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.34 0.16 0 O-C-N 121.294 -0.879 . . . . 0.0 110.791 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.01 83.57 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.771 0.714 . . . . 0.0 110.778 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.88 -51.08 67.07 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.77 -52.03 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.84 -51.4 70.17 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.298 0.639 . . . . 0.0 110.979 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.48 -52.35 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.78 -52.33 60.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.957 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -53.02 -52.53 58.14 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.391 0.676 . . . . 0.0 109.948 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -49.16 62.8 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.919 0.488 . . . . 0.0 110.787 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -73.86 -51.03 17.57 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.56 0.695 . . . . 0.0 110.802 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -57.12 -34.83 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.866 0.867 . . . . 0.0 111.753 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.52 -24.77 66.3 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 119.44 -0.644 . . . . 0.0 112.331 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -78.8 -51.76 9.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.082 0.941 . . . . 0.0 110.863 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.11 105.07 5.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.04 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.16 -85.84 0.19 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 108.157 -1.977 . . . . 0.0 108.157 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 177.81 164.29 0.64 Allowed 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 104.762 -2.31 . . . . 0.0 104.762 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -44.89 -35.54 2.87 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.622 1.101 . . . . 0.0 112.802 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -94.25 -7.05 43.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.616 1.166 . . . . 0.0 113.914 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -129.79 137.17 50.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.917 1.235 . . . . 0.0 114.196 -168.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.3 mt -112.11 124.79 53.19 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.587 1.555 . . . . 0.0 111.411 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.72 170.32 12.65 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 118.529 0.604 . . . . 0.0 110.529 168.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.83 -38.71 67.73 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 122.783 0.433 . . . . 0.0 111.31 172.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 p -62.2 -51.92 65.88 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.351 0.66 . . . . 0.0 110.174 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.85 -49.5 72.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.875 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.25 -48.27 74.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.169 0.988 . . . . 0.0 109.824 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -55.24 -61.61 2.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.05 -48.57 75.77 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.3 tm? -48.96 -54.45 15.5 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.923 1.289 . . . . 0.0 110.593 177.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.57 -52.44 57.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 118.685 0.675 . . . . 0.0 110.233 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -52.53 -46.93 66.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 110.773 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -76.3 -35.98 58.56 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.083 1.353 . . . . 0.0 111.72 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -117.05 -2.07 11.79 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -169.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -119.86 13.14 12.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.952 0.901 . . . . 0.0 111.025 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -42.25 32.46 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.125 2.17 . . . . 0.0 114.292 -169.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -59.5 -33.64 71.6 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.826 0.45 . . . . 0.0 110.682 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -93.73 -56.34 2.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.908 0.883 . . . . 0.0 109.335 -175.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 mp -104.07 135.31 45.81 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 122.956 0.503 . . . . 0.0 110.963 -172.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.74 168.85 8.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.324 173.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.53 120.24 9.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.235 0.54 . . . . 0.0 110.329 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.96 57.0 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -54.54 -33.73 60.58 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.033 1.333 . . . . 0.0 111.629 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.51 87.17 0.31 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.667 0.787 . . . . 0.0 109.931 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -30.74 16.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.357 0.663 . . . . 0.0 111.368 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.06 -45.36 83.31 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.521 -0.737 . . . . 0.0 109.931 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.7 t -70.61 -41.67 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.471 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.5 m -57.61 -47.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 CA-C-N 119.869 1.213 . . . . 0.0 109.754 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -54.94 -48.1 73.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.108 0.563 . . . . 0.0 110.487 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.3 -50.2 74.57 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.063 -0.398 . . . . 0.0 111.341 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.88 -47.28 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 119.001 0.819 . . . . 0.0 109.619 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.252 3.5 ppp? -62.61 -43.84 97.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.468 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.77 -47.27 70.87 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.7 -0.625 . . . . 0.0 111.239 171.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.6 m -56.42 -41.41 76.34 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.04 0.936 . . . . 0.0 110.803 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -28.96 39.05 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.37 0.532 . . . . 0.0 110.876 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -65.86 71.94 0.06 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.292 1.437 . . . . 0.0 113.644 -169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m -56.34 -24.21 42.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.93 -15.44 61.57 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.037 -0.506 . . . . 0.0 111.286 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.55 38.26 51.41 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.667 0.667 . . . . 0.0 111.917 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -112.68 8.34 18.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.673 1.189 . . . . 0.0 110.2 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.97 -70.34 1.79 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.77 136.28 51.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 124.683 1.193 . . . . 0.0 110.489 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.9 m -84.86 138.03 32.79 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 123.794 0.837 . . . . 0.0 109.484 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -86.81 160.7 18.68 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -48.83 -41.05 31.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.093 0.557 . . . . 0.0 112.304 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -55.6 -42.4 74.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.532 0.605 . . . . 0.0 111.792 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.72 -41.56 75.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.234 0.54 . . . . 0.0 109.792 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -54.38 -51.81 63.64 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.81 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.7 mmm -59.22 -42.36 90.81 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.516 -0.74 . . . . 0.0 111.242 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.86 89.25 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.943 -0.473 . . . . 0.0 110.737 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -60.11 -51.58 69.01 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.05 -47.45 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 123.201 0.601 . . . . 0.0 109.824 174.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.83 -52.69 64.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.022 -0.514 . . . . 0.0 111.618 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 20.5 ptp -59.55 -46.52 88.66 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.829 0.74 . . . . 0.0 110.612 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.88 -55.12 26.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 m -61.49 -40.38 94.37 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -59.29 -46.2 89.2 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.449 0.568 . . . . 0.0 111.0 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.93 87.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.389 0.54 . . . . 0.0 110.324 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.8 t -61.45 -47.4 85.88 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.814 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.89 -65.46 0.55 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.785 1.234 . . . . 0.0 109.911 176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.69 -37.58 73.72 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.413 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.79 -59.67 4.54 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 171.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.53 -37.77 88.57 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.4 1.08 . . . . 0.0 112.639 -169.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -61.73 -40.72 96.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.523 0.602 . . . . 0.0 110.429 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -78.58 71.19 5.03 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.168 -1.396 . . . . 0.0 110.372 178.052 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.82 -53.07 60.02 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.98 -55.69 31.95 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.164 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -45.43 -48.46 13.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.234 0.614 . . . . 0.0 111.336 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.39 -52.49 63.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.647 0.779 . . . . 0.0 109.568 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.94 57.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 110.673 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -53.22 -56.18 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 125.32 1.448 . . . . 0.0 109.985 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.7 -38.27 81.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.295 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.6 79.28 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.595 0.634 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -55.3 -48.77 73.62 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.34 -51.17 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -53.37 -51.48 62.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.784 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 18.5 t -62.43 -61.27 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -50.11 -52.68 32.95 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 122.765 0.426 . . . . 0.0 111.413 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -62.48 -25.24 67.9 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -173.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.82 -51.02 60.53 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.022 0.828 . . . . 0.0 109.071 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -64.28 -52.76 57.01 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.399 0.619 . . . . 0.0 109.793 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 47.9 m -60.4 -26.51 66.74 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.256 1.022 . . . . 0.0 113.369 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.03 -36.63 93.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -74.73 -53.7 8.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.276 0.538 . . . . 0.0 109.988 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.57 104.74 4.43 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 120.824 0.345 . . . . 0.0 111.037 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.97 0.51 Allowed Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.346 1.45 . . . . 0.0 112.642 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t70 45.73 48.47 11.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.369 1.468 . . . . 0.0 112.444 170.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt 71.42 -36.76 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.326 1.45 . . . . 0.0 113.776 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -94.54 -21.84 18.6 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.399 1.48 . . . . 0.0 113.749 -169.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -126.89 170.08 12.6 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.241 1.016 . . . . 0.0 111.044 -171.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 79.9 mt -130.19 120.14 24.04 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.826 0.85 . . . . 0.0 109.114 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -73.8 162.33 29.24 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -35.01 59.78 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.179 0.991 . . . . 0.0 112.697 -175.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -61.57 -51.74 67.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.02 0.528 . . . . 0.0 110.432 177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.15 -47.02 69.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.37 -48.07 74.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -53.96 -60.26 3.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.756 -0.59 . . . . 0.0 110.148 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.61 -39.1 84.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.986 -171.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.454 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.0 tm? -50.27 -54.86 18.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.556 0.742 . . . . 0.0 109.553 172.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.59 -55.0 25.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -49.76 -47.72 50.75 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.422 0.689 . . . . 0.0 110.668 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.35 -49.41 42.66 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.316 1.047 . . . . 0.0 111.928 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -100.65 -22.92 14.78 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -102.4 10.02 39.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.568 1.076 . . . . 0.0 112.053 -174.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -41.36 32.17 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.7 1.6 . . . . 0.0 114.715 -169.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.02 -30.98 58.67 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.035 -0.416 . . . . 0.0 110.407 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.29 -32.74 22.37 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.249 0.62 . . . . 0.0 110.498 -176.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -142.23 129.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -53.16 133.8 39.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.62 126.89 29.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 122.658 1.218 . . . . 0.0 110.641 -172.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -84.35 72.93 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.764 -169.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -63.95 -31.89 73.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.313 173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.27 104.44 14.3 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.078 0.551 . . . . 0.0 110.835 -175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -46.91 -39.22 11.8 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.768 1.227 . . . . 0.0 112.443 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.06 -39.94 75.87 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.498 -0.751 . . . . 0.0 110.215 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.64 -43.53 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 118.31 -0.853 . . . . 0.0 109.828 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -51.4 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 119.313 0.96 . . . . 0.0 108.577 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.79 -51.86 64.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.568 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.28 -51.31 70.07 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.482 0.583 . . . . 0.0 111.178 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 23.1 m -64.79 -42.25 94.42 Favored 'Isoleucine or valine' 0 C--N 1.339 0.145 0 CA-C-N 118.401 0.546 . . . . 0.0 110.245 -172.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.01 -45.36 64.1 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.776 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.77 -41.3 63.95 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.835 0.854 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.9 m -55.03 -29.34 57.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.452 0.701 . . . . 0.0 111.613 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.26 2.05 33.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.115 0.871 . . . . 0.0 112.479 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -74.34 70.32 1.68 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.022 1.283 . . . . 0.0 112.58 -170.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.4 p -50.34 -34.52 24.17 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.019 1.328 . . . . 0.0 111.204 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.59 -15.94 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.732 0.813 . . . . 0.0 111.005 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.99 30.48 23.0 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.533 0.587 . . . . 0.0 112.121 -175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -117.85 6.29 12.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.741 1.216 . . . . 0.0 110.328 -171.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 -67.37 2.14 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.82 121.03 8.3 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 123.545 0.738 . . . . 0.0 110.147 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 m -95.29 129.33 42.45 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 123.436 0.694 . . . . 0.0 109.616 -172.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -72.59 160.96 31.41 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 -174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -47.91 -41.7 25.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.724 0.81 . . . . 0.0 112.173 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -51.47 -50.2 60.29 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.332 0.653 . . . . 0.0 111.651 171.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -72.21 -39.42 68.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.342 0.591 . . . . 0.0 110.161 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -53.68 -51.52 62.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.454 169.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -38.05 79.06 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.59 95.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.672 -0.643 . . . . 0.0 111.181 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.77 -51.07 70.92 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.09 -44.47 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -52.44 65.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.191 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.5 ptp -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.632 1.106 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 15.9 mm -60.75 -50.13 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.671 0.748 . . . . 0.0 109.774 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.0 m -58.97 -38.63 79.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.467 1.107 . . . . 0.0 110.279 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.5 m -66.08 -45.68 80.41 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.854 -0.528 . . . . 0.0 110.28 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.6 -44.62 81.28 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.609 -0.682 . . . . 0.0 110.437 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.63 -49.64 76.72 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.792 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -49.92 -49.42 49.93 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.225 1.01 . . . . 0.0 110.283 173.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -55.32 -46.06 76.31 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.693 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -40.34 92.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.768 1.167 . . . . 0.0 111.221 176.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.1 -36.23 74.8 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.602 0.761 . . . . 0.0 110.957 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -75.51 -70.29 0.43 Allowed 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -87.25 71.52 10.03 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.4 -1.286 . . . . 0.0 110.716 178.785 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -52.63 45.93 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 172.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 69.1 mt -52.08 -60.34 3.31 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.582 1.153 . . . . 0.0 110.511 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -76.2 71.81 2.95 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 172.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -61.96 164.19 6.85 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.919 1.287 . . . . 0.0 111.653 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 99.8 p 56.1 -108.75 0.45 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.111 1.764 . . . . 0.0 112.081 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.81 -163.69 0.07 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.781 1.232 . . . . 0.0 111.272 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -79.74 -4.34 51.48 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.674 -0.641 . . . . 0.0 111.955 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.75 -61.46 2.17 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.4 80.19 5.79 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 169.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -44.99 -27.55 0.56 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.439 1.496 . . . . 0.0 113.412 -178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -42.69 -40.7 2.87 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.446 1.098 . . . . 0.0 111.457 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -38.39 -44.36 0.91 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.273 1.829 . . . . 0.0 113.347 173.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.65 -31.47 10.98 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.424 0.556 . . . . 0.0 111.466 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -106.7 -48.21 3.58 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.244 1.418 . . . . 0.0 109.764 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 48.8 mt -77.25 -5.8 50.7 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.738 0.815 . . . . 0.0 113.016 -172.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -45.55 -36.94 4.97 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.561 1.073 . . . . 0.0 112.046 170.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.31 -42.83 70.56 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.047 0.84 . . . . 0.0 111.134 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.2 -48.75 64.38 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.76 -0.588 . . . . 0.0 109.873 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -55.15 -50.86 68.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.602 0.715 . . . . 0.0 110.312 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.4 p -61.36 -45.03 96.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.027 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -35.76 76.68 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 120.064 1.302 . . . . 0.0 110.922 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.23 -38.2 90.21 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.894 0.77 . . . . 0.0 109.435 173.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.34 -54.99 31.87 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 123.369 0.509 . . . . 0.0 112.093 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.84 -37.27 86.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 117.653 0.727 . . . . 0.0 111.307 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.629 3.572 . . . . 0.0 107.144 -169.573 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -136.21 151.05 49.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 39.5 mt 73.26 169.49 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.074 1.75 . . . . 0.0 112.2 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 72.75 -58.76 0.59 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 126.833 2.053 . . . . 0.0 109.624 -169.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 47.65 -128.0 1.73 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.86 1.664 . . . . 0.0 109.108 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -74.36 56.03 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.484 1.114 . . . . 0.0 111.426 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.63 59.58 3.83 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.456 1.503 . . . . 0.0 112.484 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -74.3 54.18 0.55 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.299 0.64 . . . . 0.0 112.153 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.68 141.01 49.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.307 -0.87 . . . . 0.0 110.805 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -76.18 69.34 2.71 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -46.44 -32.6 3.38 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.874 1.67 . . . . 0.0 111.849 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.67 -46.0 7.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.052 1.341 . . . . 0.0 111.961 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 76.3 p -55.43 -44.82 76.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.511 0.724 . . . . 0.0 111.874 -170.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -48.05 -39.73 20.87 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.928 0.891 . . . . 0.0 110.772 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -84.1 -56.37 3.7 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 109.197 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.74 -12.41 23.78 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -45.19 -36.53 3.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.558 1.072 . . . . 0.0 110.466 168.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -47.87 -41.81 25.09 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 117.867 0.303 . . . . 0.0 111.812 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.75 -36.13 70.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -61.49 -47.28 86.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.527 -0.733 . . . . 0.0 109.103 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 3.2 p -61.74 -37.95 86.11 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 117.639 0.2 . . . . 0.0 110.821 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -58.21 -38.0 75.92 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.558 -0.714 . . . . 0.0 110.112 174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.34 26.66 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.763 0.825 . . . . 0.0 111.69 173.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.83 -51.69 0.19 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.119 -1.992 . . . . 0.0 108.119 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.05 -48.7 80.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.191 0.996 . . . . 0.0 109.919 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.844 -1.55 . . . . 0.0 112.387 -178.177 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.702 0.287 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.18 -53.89 37.53 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.079 0.952 . . . . 0.0 112.025 -170.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.69 -48.44 81.78 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.097 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.84 -41.46 97.83 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -52.3 65.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.797 0.839 . . . . 0.0 109.545 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.09 -54.23 26.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.459 0.704 . . . . 0.0 110.062 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -54.45 -55.43 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.269 1.028 . . . . 0.0 111.427 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.7 -35.64 68.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.218 0 O-C-N 121.509 -0.744 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -48.29 80.39 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.959 0.8 . . . . 0.0 110.8 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 mt -55.48 -51.43 66.99 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.864 0.756 . . . . 0.0 109.922 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.03 -53.35 49.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.02 -51.19 67.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.192 0.597 . . . . 0.0 110.095 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.28 -52.96 50.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -49.58 -51.6 36.04 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -53.72 -43.19 68.83 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.078 0.951 . . . . 0.0 111.205 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -55.81 -46.09 78.14 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.002 0.365 . . . . 0.0 111.213 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.2 -54.15 8.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.157 0.503 . . . . 0.0 111.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 p -61.21 -25.62 67.17 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.695 0.798 . . . . 0.0 112.646 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.68 -31.97 79.88 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 mtm-85 -79.54 -54.31 6.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.927 0.863 . . . . 0.0 110.031 -172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -142.18 102.39 4.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.098 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.21 40.85 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.988 1.28 . . . . 0.0 111.976 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 40.54 40.26 0.87 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.658 1.583 . . . . 0.0 114.954 169.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt 69.43 -27.77 0.16 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.938 1.295 . . . . 0.0 114.257 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -106.23 -11.14 16.14 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.952 1.301 . . . . 0.0 112.372 -173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -136.6 166.11 24.3 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.54 1.136 . . . . 0.0 111.291 -174.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -123.81 123.45 40.5 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.222 1.009 . . . . 0.0 109.87 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -71.35 164.3 26.0 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.439 0.563 . . . . 0.0 110.764 169.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.589 0.756 . . . . 0.0 111.785 175.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -64.54 -50.63 66.58 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.55 1.14 . . . . 0.0 109.554 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.63 -41.82 71.7 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.464 0.575 . . . . 0.0 111.532 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -55.73 -52.71 62.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.628 0.771 . . . . 0.0 109.932 -172.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -58.34 -47.11 84.8 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 121.344 -0.847 . . . . 0.0 112.584 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.42 -45.86 82.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.0 tm? -49.3 -54.68 15.8 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.899 0.879 . . . . 0.0 109.708 173.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.6 mm -64.4 -55.27 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.909 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -44.39 -54.24 6.07 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.978 0.808 . . . . 0.0 111.685 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.72 -45.37 75.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 123.869 0.868 . . . . 0.0 110.695 -172.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -90.25 -43.99 10.02 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -94.87 22.11 6.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.089 0.859 . . . . 0.0 111.969 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -48.6 -38.75 21.63 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -171.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -88.05 -27.75 21.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.575 0.75 . . . . 0.0 110.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -73.97 -61.31 1.89 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.045 0.938 . . . . 0.0 109.758 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -113.54 146.16 40.09 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 124.526 1.13 . . . . 0.0 108.242 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.4 165.26 10.0 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 171.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -50.87 144.75 8.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.959 0.904 . . . . 0.0 112.007 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -103.44 95.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 125.746 1.619 . . . . 0.0 107.45 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.32 -61.24 1.6 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.922 0.889 . . . . 0.0 111.134 -172.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.31 102.58 5.12 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.815 -0.553 . . . . 0.0 111.443 -169.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -38.92 -36.37 0.27 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.431 2.293 . . . . 0.0 113.529 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -71.81 -41.4 68.28 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.497 0.719 . . . . 0.0 112.331 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.6 t -68.85 -37.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 120.874 -1.141 . . . . 0.0 109.351 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -54.35 -45.67 68.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.84 -39.86 93.3 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.242 -0.286 . . . . 0.0 111.058 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -60.22 -49.16 78.7 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.223 -0.923 . . . . 0.0 110.974 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.17 -44.82 97.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.214 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.5 ptm -56.13 -47.13 78.73 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.228 -0.92 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.65 -46.52 81.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.878 1.271 . . . . 0.0 110.046 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.1 m -55.43 -36.54 66.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.549 0.74 . . . . 0.0 110.597 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.0 mt -83.83 -36.05 23.77 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.886 -0.509 . . . . 0.0 111.936 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -63.29 69.98 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.727 2.011 . . . . 0.0 114.239 -169.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.0 m -53.82 -25.27 18.67 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.483 1.113 . . . . 0.0 112.137 171.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.77 -15.39 61.65 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.39 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.82 40.84 50.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.573 0.624 . . . . 0.0 111.699 -176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.15 6.81 16.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.873 1.269 . . . . 0.0 110.024 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.05 -72.26 1.37 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -60.0 125.95 25.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.364 0.665 . . . . 0.0 109.706 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 t -83.58 122.96 29.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.517 0.727 . . . . 0.0 110.769 -169.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -78.38 156.94 29.23 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 118.343 0.519 . . . . 0.0 111.071 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -48.42 -41.79 30.22 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.265 0.626 . . . . 0.0 111.638 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -58.56 -41.4 85.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.417 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -72.6 -41.5 65.55 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.493 0.717 . . . . 0.0 109.67 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -53.1 -51.81 60.67 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 88.2 mmm -58.03 -42.53 85.51 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.959 -0.463 . . . . 0.0 111.418 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.77 86.61 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.937 -0.477 . . . . 0.0 111.14 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -60.56 -51.99 67.09 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.999 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -51.22 -42.89 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 123.532 0.733 . . . . 0.0 109.51 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.03 -54.27 48.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 118.951 0.796 . . . . 0.0 111.003 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.59 -39.62 80.86 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.69 0.677 . . . . 0.0 111.901 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.85 -51.37 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.6 m -59.76 -41.77 91.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.108 0.563 . . . . 0.0 110.176 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.2 m -57.8 -48.75 78.81 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.959 0.799 . . . . 0.0 110.045 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.59 88.59 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 121.759 -0.588 . . . . 0.0 110.427 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.58 -36.8 85.4 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 122.164 -0.335 . . . . 0.0 111.445 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.16 -56.52 21.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.713 0.805 . . . . 0.0 109.323 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.57 -45.72 66.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.793 0.437 . . . . 0.0 110.792 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -52.82 -57.1 11.31 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.739 0.781 . . . . 0.0 110.694 170.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.59 -27.81 64.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.429 1.491 . . . . 0.0 112.507 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.83 -40.97 22.71 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.87 69.3 1.19 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 169.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.264 -178.241 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.35 -50.74 38.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.697 0.681 . . . . 0.0 110.202 172.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 26.5 mt -60.65 -46.91 88.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.384 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -55.33 -45.04 76.39 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.147 0.431 . . . . 0.0 110.818 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -63.39 -50.16 70.98 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 122.867 0.467 . . . . 0.0 110.343 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.55 -55.06 17.84 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.003 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 19.8 t -53.78 -55.47 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.922 1.289 . . . . 0.0 111.633 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -65.59 -29.75 48.02 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 O-C-N 121.186 -0.946 . . . . 0.0 111.009 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.8 76.26 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.346 0.976 . . . . 0.0 110.681 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.27 -51.73 65.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.228 0.467 . . . . 0.0 109.81 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.19 -52.43 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 122.781 0.432 . . . . 0.0 110.299 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.82 -51.03 66.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.348 0.659 . . . . 0.0 110.589 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.91 -47.98 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -54.73 -53.16 58.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.855 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -57.15 -48.29 79.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.899 0.88 . . . . 0.0 109.924 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.1 -50.49 64.32 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.35 1.06 . . . . 0.0 110.776 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.57 -49.44 59.36 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.622 . . . . 0.0 110.092 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.8 m -54.46 -34.91 62.38 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.35 1.06 . . . . 0.0 112.235 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.15 -30.44 54.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.87 -51.71 10.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 117.1 0.45 . . . . 0.0 110.598 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.76 105.95 4.58 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.92 17.05 4.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.513 1.53 . . . . 0.0 113.143 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.6 t0 35.79 77.65 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 127.672 2.389 . . . . 0.0 113.464 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 mttt 72.55 -48.87 0.69 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.963 1.705 . . . . 0.0 113.945 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -92.4 -25.24 18.58 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -169.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -132.28 158.87 40.72 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.547 1.067 . . . . 0.0 112.305 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -117.04 122.57 44.57 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.167 1.787 . . . . 0.0 108.678 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -72.26 169.58 15.89 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -54.16 -39.63 66.72 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.165 -0.334 . . . . 0.0 111.265 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -53.99 -52.1 61.81 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.349 0.66 . . . . 0.0 110.311 174.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.99 -43.49 74.75 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.011 0.434 . . . . 0.0 110.978 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -46.61 78.68 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.561 -178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -59.57 -51.15 71.05 Favored 'General case' 0 C--N 1.342 0.239 0 O-C-N 121.83 -0.543 . . . . 0.0 110.715 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.09 -43.14 88.16 Favored 'General case' 0 C--O 1.227 -0.132 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.57 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.434 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.5 tm? -49.75 -55.55 13.55 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.294 0.638 . . . . 0.0 109.54 174.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mt -65.41 -53.38 40.54 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 CA-C-O 118.954 -0.546 . . . . 0.0 110.728 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -50.78 -56.27 12.85 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.021 0.828 . . . . 0.0 110.838 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -58.39 -53.74 54.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.389 0.676 . . . . 0.0 110.871 -174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -90.1 -41.78 11.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.75 1.4 55.25 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -168.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.7 m -42.58 -37.96 1.84 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.76 -41.73 87.26 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.436 0.694 . . . . 0.0 111.861 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -98.48 -16.1 19.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 111.86 -171.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tt -151.63 137.75 18.29 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -173.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.57 160.79 6.67 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.108 0.413 . . . . 0.0 111.492 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.18 142.6 36.5 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -85.98 -55.93 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.204 0.602 . . . . 0.0 109.629 -175.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.289 61.0 pttt 51.78 -63.18 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.257 2.623 . . . . 0.0 114.805 -169.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.34 114.54 2.47 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.242 1.417 . . . . 0.0 111.488 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.06 -35.25 46.85 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 121.309 0.576 . . . . 0.0 111.062 174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -58.23 -41.81 84.92 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.155 0.982 . . . . 0.0 110.712 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.57 -47.67 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -174.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 p -54.98 -47.28 76.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.485 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.77 -49.81 67.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.71 -50.38 73.7 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.369 0.531 . . . . 0.0 111.734 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.13 -46.3 88.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.227 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -65.43 -42.32 92.56 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.974 -1.079 . . . . 0.0 110.275 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.95 -47.32 71.4 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.446 0.698 . . . . 0.0 111.012 170.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 32.0 m -56.1 -39.31 71.97 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.056 0.543 . . . . 0.0 110.699 177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.59 -39.39 45.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.644 -0.693 . . . . 0.0 112.142 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -47.17 68.31 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 129.493 3.117 . . . . 0.0 115.019 -169.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -65.66 -25.76 67.49 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.864 1.666 . . . . 0.0 110.629 178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.15 -14.26 61.33 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.083 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.49 37.06 55.24 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 118.905 0.775 . . . . 0.0 111.28 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.93 7.08 16.82 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.194 0.997 . . . . 0.0 110.266 -172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.3 -68.75 1.73 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -55.92 135.32 52.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.47 1.108 . . . . 0.0 110.39 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.5 m -85.4 123.66 31.11 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.21 166.51 23.31 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 110.194 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -48.25 -40.3 24.21 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 170.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -57.0 -51.39 69.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -51.46 68.32 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.721 0.808 . . . . 0.0 110.555 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.98 -46.57 61.4 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.164 175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.35 -39.95 89.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.894 -0.504 . . . . 0.0 111.627 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.26 99.18 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.769 -0.582 . . . . 0.0 110.406 174.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.1 -48.17 81.37 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.116 0.567 . . . . 0.0 109.905 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 25.0 t -51.03 -47.29 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.99 -51.76 67.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.631 0.65 . . . . 0.0 111.27 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.99 -46.64 88.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.104 0.866 . . . . 0.0 111.365 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -56.56 -50.16 74.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 123.388 0.675 . . . . 0.0 109.738 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -62.44 -41.01 98.41 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.188 1.395 . . . . 0.0 110.152 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 73.0 m -59.05 -50.94 72.15 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.784 0.72 . . . . 0.0 109.926 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.77 82.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.046 0.451 . . . . 0.0 110.398 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.62 -41.6 98.26 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.15 -0.343 . . . . 0.0 111.861 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.16 -53.33 59.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.796 0.838 . . . . 0.0 108.838 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -54.3 -45.41 72.56 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.137 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -55.96 15.75 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 118.316 0.507 . . . . 0.0 109.902 170.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -59.4 -35.68 74.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.413 1.085 . . . . 0.0 111.754 -173.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -57.76 -40.58 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.203 0.601 . . . . 0.0 110.359 173.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.7 69.86 3.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.802 -170.014 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -109.97 113.72 26.67 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -48.91 135.87 14.94 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.366 0.666 . . . . 0.0 110.347 -176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 67.29 -63.05 0.3 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.252 1.821 . . . . 0.0 111.671 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -52.32 -37.86 57.01 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.468 1.507 . . . . 0.0 112.442 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -49.73 -36.05 24.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.615 0.643 . . . . 0.0 111.716 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.63 42.71 1.24 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.055 0.542 . . . . 0.0 110.139 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -51.31 5.81 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -172.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.53 64.38 1.63 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.112 0.965 . . . . 0.0 112.796 -169.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -75.93 63.54 1.74 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -46.58 -45.67 19.03 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 -175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -48.29 -39.8 22.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.365 1.066 . . . . 0.0 112.503 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 20.6 m -59.19 -32.66 70.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.239 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -55.86 -46.34 78.27 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.831 1.196 . . . . 0.0 110.815 -178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -73.86 -50.94 17.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 mt -69.92 -21.54 63.28 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -44.94 -46.25 10.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 125.939 1.696 . . . . 0.0 111.583 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.89 -50.67 71.25 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.293 0.497 . . . . 0.0 110.179 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -53.07 61.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.902 0.881 . . . . 0.0 109.164 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -50.75 -51.54 49.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.664 0.786 . . . . 0.0 109.844 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -62.25 -46.49 88.59 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.77 0.428 . . . . 0.0 110.83 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -64.13 -36.12 82.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.315 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.53 -40.93 85.05 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.07 56.73 1.26 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -54.65 39.34 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.586 0.708 . . . . 0.0 109.166 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.87 -1.538 . . . . 0.0 111.673 178.543 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 mttp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.771 0.319 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -148.17 -177.91 6.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.684 1.994 . . . . 0.0 106.162 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.82 -39.48 65.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.003 0.521 . . . . 0.0 110.09 169.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 -69.59 77.52 0.42 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -149.61 156.18 41.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.522 1.129 . . . . 0.0 108.158 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -71.39 58.55 0.27 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.069 1.747 . . . . 0.0 112.814 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 67.25 -59.66 0.39 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.169 2.188 . . . . 0.0 113.596 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.57 73.19 2.58 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.748 0.819 . . . . 0.0 110.315 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.65 81.05 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.441 1.097 . . . . 0.0 108.665 170.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 71' ' ' ARG . 2.9 mmp_? -34.46 -67.32 0.14 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.463 1.505 . . . . 0.0 114.401 -169.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -47.36 -61.67 1.8 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 0.0 111.002 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.08 -46.96 75.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.983 0.513 . . . . 0.0 111.171 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 74.4 p -64.33 -33.33 75.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 118.795 -0.621 . . . . 0.0 112.141 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -49.29 -51.1 36.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 119.065 0.848 . . . . 0.0 111.64 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -56.97 -44.33 82.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.784 0.834 . . . . 0.0 110.743 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.46 -18.89 40.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.526 1.13 . . . . 0.0 111.242 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -47.57 -34.31 7.59 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.475 1.51 . . . . 0.0 112.349 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.49 -43.51 68.27 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.583 0.753 . . . . 0.0 111.089 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -53.46 -54.52 35.78 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.196 0.522 . . . . 0.0 109.743 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -57.61 -42.47 83.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.677 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 23.6 m -60.58 -51.23 70.31 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.844 0.458 . . . . 0.0 109.849 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -66.58 -37.23 84.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.907 -0.496 . . . . 0.0 111.075 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.65 -38.46 80.48 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.957 -0.465 . . . . 0.0 110.686 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.05 -29.62 28.67 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.671 1.605 . . . . 0.0 113.922 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.63 -26.66 65.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.816 0.808 . . . . 0.0 111.962 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.158 -1.401 . . . . 0.0 108.968 176.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 121.118 0.485 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -46.62 -53.55 11.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.194 1.398 . . . . 0.0 112.186 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.3 mt -60.19 -40.11 88.89 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.289 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.37 -46.87 84.52 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.356 0.526 . . . . 0.0 109.606 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -60.7 -49.52 77.18 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.093 0.557 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.62 -55.83 14.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG13 HG23 ' B' ' 81' ' ' THR . 5.2 t -52.97 -54.17 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.401 1.08 . . . . 0.0 112.118 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.75 -33.49 62.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.388 0.995 . . . . 0.0 110.724 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.5 -48.13 81.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.654 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 mt -54.82 -51.84 64.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.704 0.683 . . . . 0.0 109.861 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.69 -53.01 50.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.011 0.524 . . . . 0.0 110.102 -177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.81 -50.16 65.65 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.364 0.266 . . . . 0.0 110.464 -171.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.09 -50.3 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.87 -50.73 44.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.06 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.08 -47.89 68.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.465 0.575 . . . . 0.0 110.531 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -56.32 -46.43 79.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.356 0.526 . . . . 0.0 111.661 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.76 -49.13 22.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.436 0.636 . . . . 0.0 112.248 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -61.23 -35.66 77.83 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.971 -1.08 . . . . 0.0 111.907 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.85 59.76 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.293 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -78.91 -52.83 7.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.708 0.754 . . . . 0.0 111.308 -170.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -140.02 126.4 20.12 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.44 -106.46 1.89 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 103.129 -3.989 . . . . 0.0 103.129 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.9 173.37 4.49 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -56.39 -12.43 1.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -113.47 -3.12 13.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.228 1.811 . . . . 0.0 112.174 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -143.61 128.55 18.47 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 111.998 -175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.0 mt -92.6 120.67 33.26 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.961 0.904 . . . . 0.0 110.921 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -78.43 155.96 29.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -55.47 -33.67 63.85 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.397 1.079 . . . . 0.0 113.485 -173.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -48.12 65.23 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.903 0.881 . . . . 0.0 110.627 170.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.82 -46.55 18.45 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.651 0.781 . . . . 0.0 109.726 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.47 -42.03 73.78 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -54.99 -60.09 3.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.882 -0.511 . . . . 0.0 110.458 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.95 -39.89 94.18 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.362 -176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.6 tm? -50.65 -55.52 16.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.074 0.95 . . . . 0.0 109.374 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.4 mm -64.15 -53.21 46.34 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 O-C-N 121.507 -0.745 . . . . 0.0 109.585 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -48.71 -50.56 32.95 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.162 0.585 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -78.95 -56.03 4.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.101 0.56 . . . . 0.0 110.31 -172.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -79.95 -34.71 38.54 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -169.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tp -92.94 13.07 21.69 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.648 0.658 . . . . 0.0 111.421 -174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -54.59 -33.14 59.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.368 1.867 . . . . 0.0 114.22 -170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -73.78 -28.81 61.85 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.573 -0.705 . . . . 0.0 110.593 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -91.9 -55.96 3.26 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.07 0.548 . . . . 0.0 109.785 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -104.49 140.35 38.09 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.574 0.75 . . . . 0.0 109.713 -175.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.9 161.91 30.24 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -57.51 140.44 50.69 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.732 0.777 . . . . 0.0 111.672 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.96 83.85 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.868 1.667 . . . . 0.0 107.677 -172.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -70.88 -38.18 73.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.705 1.602 . . . . 0.0 111.393 175.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -81.98 95.71 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 122.877 0.471 . . . . 0.0 110.84 -169.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.39 -38.26 3.89 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.358 1.463 . . . . 0.0 112.372 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -58.43 -38.33 77.21 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.732 -0.605 . . . . 0.0 110.373 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.3 t -74.45 -39.15 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 O-C-N 121.778 -0.576 . . . . 0.0 110.316 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -50.61 76.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.268 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -55.99 -42.29 76.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.018 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -62.68 -50.01 72.84 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.315 0.507 . . . . 0.0 112.112 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.75 -37.9 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 121.391 -0.818 . . . . 0.0 109.814 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 96.2 mtp -58.62 -52.71 64.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.946 -0.471 . . . . 0.0 110.111 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -51.8 -44.95 63.69 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 124.214 1.005 . . . . 0.0 109.306 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.4 m -55.73 -32.51 63.43 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.773 0.829 . . . . 0.0 111.762 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.02 -7.17 21.63 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.178 0.899 . . . . 0.0 113.172 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.76 69.9 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 120.245 1.384 . . . . 0.0 112.978 -169.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -59.84 -22.93 62.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.875 0.87 . . . . 0.0 111.541 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.3 -16.19 61.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.322 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.31 36.94 17.37 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.646 0.641 . . . . 0.0 111.996 -171.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -117.73 8.6 12.79 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.086 0.955 . . . . 0.0 110.623 -170.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -65.73 2.52 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.37 143.17 50.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.96 0.504 . . . . 0.0 110.52 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -100.63 126.94 47.16 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -68.27 160.11 29.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.871 0.469 . . . . 0.0 109.778 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -47.51 -41.9 21.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.63 -41.27 94.57 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.846 0.748 . . . . 0.0 112.063 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.01 -41.75 77.34 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.559 -0.713 . . . . 0.0 109.383 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -52.56 -54.44 32.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.783 169.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.0 mmm -53.73 -43.81 69.39 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.487 0.585 . . . . 0.0 111.562 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.45 -41.3 93.82 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.909 -0.494 . . . . 0.0 111.884 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.63 -52.17 64.38 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.31 -37.54 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 122.894 0.478 . . . . 0.0 110.0 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.24 60.25 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.394 -0.816 . . . . 0.0 111.476 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.4 ptp -59.34 -42.67 92.04 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.692 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -62.11 -53.26 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 117.833 0.288 . . . . 0.0 110.559 -176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.8 p -56.12 -50.8 70.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.834 0.454 . . . . 0.0 109.798 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -53.58 -50.78 64.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.275 0.56 . . . . 0.0 110.302 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.63 88.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.513 -176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.0 t -66.45 -42.51 87.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.917 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -52.65 -53.75 42.75 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.286 0.494 . . . . 0.0 110.309 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.87 -46.59 87.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.421 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -51.83 -44.25 63.5 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.875 -0.516 . . . . 0.0 110.5 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.4 -36.44 71.3 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.141 0.576 . . . . 0.0 111.388 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.35 -37.18 84.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -77.79 71.57 4.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.31 -1.328 . . . . 0.0 110.561 177.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -53.36 38.31 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.463 1.105 . . . . 0.0 111.566 -175.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -53.44 -43.85 68.36 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 117.748 0.249 . . . . 0.0 110.51 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -61.17 -49.99 74.97 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.753 0.421 . . . . 0.0 110.267 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.99 -51.18 55.51 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.564 0.746 . . . . 0.0 110.533 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.94 -55.88 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.511 1.124 . . . . 0.0 110.893 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.01 -31.89 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.043 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -50.53 73.59 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.818 0.735 . . . . 0.0 110.65 172.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.63 -51.8 64.26 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 40.6 mt -56.83 -52.19 58.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 122.549 0.34 . . . . 0.0 110.375 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.47 -51.57 68.12 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 122.755 0.422 . . . . 0.0 110.562 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.71 -52.74 56.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -53.88 -51.04 64.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.946 -0.116 . . . . 0.0 110.694 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -55.39 -51.99 65.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.098 0.959 . . . . 0.0 110.277 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -54.47 -51.26 65.59 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.963 0.347 . . . . 0.0 110.635 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -66.88 -49.17 66.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.519 0.676 . . . . 0.0 110.097 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m -63.01 -25.06 68.21 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.302 1.041 . . . . 0.0 112.471 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.07 -32.1 83.05 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 171.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -75.39 -54.08 7.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.201 1.0 . . . . 0.0 110.316 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -143.51 103.06 4.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.141 0.495 . . . . 0.0 111.689 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.07 44.46 0.12 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.797 2.142 . . . . 0.0 111.107 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t0 17.09 67.61 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 C-N-CA 128.634 2.773 . . . . 0.0 114.698 -177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm 74.17 -46.96 0.63 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.826 1.65 . . . . 0.0 112.657 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -82.66 -24.59 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.782 1.233 . . . . 0.0 112.484 -169.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -135.11 159.05 42.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.967 0.803 . . . . 0.0 112.151 -170.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.7 mt -116.66 116.82 28.27 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 125.077 1.351 . . . . 0.0 109.993 176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -54.92 164.35 0.83 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.666 0.666 . . . . 0.0 110.895 168.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -54.09 -39.8 66.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.341 0.518 . . . . 0.0 111.338 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 p -57.79 -52.72 64.28 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.074 0.549 . . . . 0.0 109.541 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.93 -45.13 87.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.925 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.54 98.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.268 0.485 . . . . 0.0 110.099 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -56.09 -58.8 6.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.73 -0.606 . . . . 0.0 110.143 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.06 -40.26 97.16 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.335 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.6 tm? -49.38 -55.07 14.24 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.434 1.093 . . . . 0.0 109.06 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.52 -54.13 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 118.545 0.611 . . . . 0.0 110.315 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -54.43 -46.67 73.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 118.068 0.395 . . . . 0.0 110.592 -176.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -71.6 -54.76 9.4 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.238 0.615 . . . . 0.0 110.095 -175.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.02 -45.16 14.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.906 -0.569 . . . . 0.0 111.984 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mp -88.97 40.9 1.0 Allowed 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.34 -27.84 69.3 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.672 1.189 . . . . 0.0 111.989 -174.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -102.83 -44.42 5.28 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.567 1.147 . . . . 0.0 109.489 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.39 -44.63 80.44 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.208 1.003 . . . . 0.0 111.625 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.9 162.39 21.1 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.842 1.257 . . . . 0.0 108.64 173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -77.8 172.7 13.05 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.95 140.86 51.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -85.05 -52.7 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 68.76 -62.13 0.4 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.06 1.744 . . . . 0.0 113.603 173.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -71.55 97.81 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.717 0.807 . . . . 0.0 111.379 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.94 -51.53 1.34 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.615 1.566 . . . . 0.0 112.539 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.21 -33.3 75.19 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.659 -0.651 . . . . 0.0 111.776 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.43 -41.63 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 O-C-N 121.669 -0.644 . . . . 0.0 109.287 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -47.36 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.4 -49.06 70.79 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.444 0.698 . . . . 0.0 109.763 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -60.43 -50.86 71.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.131 0.878 . . . . 0.0 111.582 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -66.73 -39.04 82.79 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.766 -174.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.86 -44.35 70.03 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.307 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.9 -42.46 65.36 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 124.933 1.293 . . . . 0.0 110.11 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 30.6 m -55.18 -29.26 57.51 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.878 0.871 . . . . 0.0 111.543 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.59 -2.4 26.73 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.149 0.886 . . . . 0.0 112.676 174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.32 70.61 3.74 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 120.145 1.339 . . . . 0.0 111.712 -169.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 89.6 p -49.61 -34.7 18.75 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.801 1.24 . . . . 0.0 111.293 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.16 -16.36 61.98 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.429 0.692 . . . . 0.0 111.298 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 46.55 37.01 8.36 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.693 1.14 . . . . 0.0 112.017 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -117.87 0.26 11.89 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.993 0.917 . . . . 0.0 111.28 -169.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 -0.41 61.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 121.571 -0.706 . . . . 0.0 112.637 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -128.67 129.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.555 1.942 . . . . 0.0 108.416 169.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.59 127.76 38.2 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.469 1.108 . . . . 0.0 109.395 -174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.21 162.64 16.78 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.097 0.559 . . . . 0.0 111.637 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.71 -47.23 20.51 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.348 1.059 . . . . 0.0 110.018 173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -49.88 -48.18 51.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.482 0.583 . . . . 0.0 111.788 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.42 -40.96 63.84 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.35 0.66 . . . . 0.0 110.627 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.45 -51.21 60.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -35.77 82.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 122.532 0.333 . . . . 0.0 110.942 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.51 94.21 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.546 -0.722 . . . . 0.0 111.247 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.5 -50.73 72.38 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.36 -45.19 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 173.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.05 79.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.588 0.755 . . . . 0.0 111.624 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.4 ptp -60.3 -46.48 89.71 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.635 1.107 . . . . 0.0 111.273 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.02 -52.86 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 122.477 1.132 . . . . 0.0 108.707 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.509 HG23 HG13 ' A' ' 7' ' ' VAL . 92.2 m -62.35 -34.96 77.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.224 1.41 . . . . 0.0 110.721 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.8 m -60.51 -51.34 69.87 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 119.328 0.967 . . . . 0.0 109.568 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.33 86.73 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.167 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.81 -41.58 99.35 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -56.5 -59.51 4.88 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.23 0.612 . . . . 0.0 109.794 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -51.53 -47.46 63.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.121 0.569 . . . . 0.0 110.496 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -48.93 -58.93 4.07 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 122.701 0.4 . . . . 0.0 110.554 171.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -63.05 -36.5 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.865 0.866 . . . . 0.0 111.894 -172.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.12 -44.65 71.99 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.803 -0.561 . . . . 0.0 110.59 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -120.53 71.39 0.92 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.896 0.479 . . . . 0.0 109.948 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.411 -1.28 . . . . 0.0 110.563 177.403 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -77.77 63.38 2.82 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.102 0.961 . . . . 0.0 111.721 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 61.1 mt -80.0 55.06 2.03 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.607 -0.683 . . . . 0.0 110.081 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 64.94 -67.34 0.12 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.362 1.865 . . . . 0.0 111.745 -173.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -34.63 129.89 0.4 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.706 2.002 . . . . 0.0 111.512 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.62 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -168.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.04 74.33 1.2 Allowed 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 119.796 1.18 . . . . 0.0 108.064 170.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -78.06 50.53 0.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.835 0.854 . . . . 0.0 110.765 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 115.3 2.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.114 0.966 . . . . 0.0 111.286 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 65.41 14.31 9.37 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.856 1.262 . . . . 0.0 113.919 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -56.69 -34.99 67.95 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.931 -1.105 . . . . 0.0 108.321 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -42.51 -39.82 2.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.308 1.843 . . . . 0.0 112.019 173.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 86.1 m -49.74 -32.31 13.34 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.267 1.027 . . . . 0.0 112.423 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -47.53 -36.65 10.73 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.512 0.597 . . . . 0.0 111.38 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -102.35 -46.41 4.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.744 1.218 . . . . 0.0 109.723 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -76.31 -3.74 38.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 117.864 -1.065 . . . . 0.0 113.147 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -44.46 -47.14 9.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.444 1.475 . . . . 0.0 111.654 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.39 -56.86 14.39 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.834 0.454 . . . . 0.0 109.88 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.73 -48.1 82.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.375 1.07 . . . . 0.0 110.812 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -55.59 -51.3 67.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.649 0.78 . . . . 0.0 109.767 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 40.7 m -60.69 -42.71 97.7 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -32.43 30.38 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -174.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.09 -26.9 68.55 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 122.018 -0.426 . . . . 0.0 110.297 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.57 -31.0 35.89 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 123.505 0.574 . . . . 0.0 113.041 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.61 -20.74 53.43 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.242 1.021 . . . . 0.0 111.539 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.974 -1.488 . . . . 0.0 110.272 179.321 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -82.53 62.16 6.04 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 -176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 57.2 mt 48.44 32.91 3.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 111.862 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 58.24 14.56 2.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.718 1.207 . . . . 0.0 113.439 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -54.61 -53.55 53.21 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.584 1.084 . . . . 0.0 112.9 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -79.51 42.68 0.52 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.885 0.874 . . . . 0.0 111.379 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.01 26.7 1.43 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.27 1.828 . . . . 0.0 113.672 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -84.15 61.37 6.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 121.529 -0.732 . . . . 0.0 110.436 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.87 55.34 0.88 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.177 0.991 . . . . 0.0 111.223 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 127.416 2.287 . . . . 0.0 112.592 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -44.31 -62.18 1.25 Allowed 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 126.065 1.746 . . . . 0.0 112.497 -169.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -21.03 61.65 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 28.6 m -105.46 -28.66 10.7 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.614 0.765 . . . . 0.0 112.391 -170.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -48.2 -34.31 9.88 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -61.14 2.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.727 0.811 . . . . 0.0 110.722 173.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 52.8 mt -52.78 -29.75 29.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.535 0.734 . . . . 0.0 112.224 -176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -43.9 -43.67 6.57 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.572 1.549 . . . . 0.0 111.671 173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.21 -44.15 80.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.866 0.757 . . . . 0.0 109.942 -177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -57.82 -50.67 72.49 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -53.81 -47.4 70.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.159 0.984 . . . . 0.0 109.965 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 87.3 m -60.33 -51.26 70.26 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -65.65 -36.49 83.84 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.845 -0.534 . . . . 0.0 111.52 -177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.36 -36.63 84.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.394 0.678 . . . . 0.0 109.624 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.31 -30.47 11.59 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.187 1.375 . . . . 0.0 114.01 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.04 -26.04 68.38 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.689 1.245 . . . . 0.0 112.221 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.198 -1.382 . . . . 0.0 110.305 -178.287 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 120.492 0.187 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -50.36 -51.41 46.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.696 0.798 . . . . 0.0 110.76 -175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD22 HD23 ' B' ' 10' ' ' LEU . 15.6 mt -64.08 -36.54 84.34 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.789 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.67 -41.84 98.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.565 0.62 . . . . 0.0 109.979 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.8 -49.45 74.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.48 57.4 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.759 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.53 -56.02 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.06 1.344 . . . . 0.0 111.18 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -66.98 -33.03 60.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 C-N-CA 119.276 -0.969 . . . . 0.0 111.131 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.1 73.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.435 0.561 . . . . 0.0 110.16 172.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.84 -52.66 62.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.71 0.232 . . . . 0.0 110.541 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.34 -52.54 57.85 Favored 'Isoleucine or valine' 0 C--N 1.338 0.103 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.13 -51.9 66.02 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.41 -0.181 . . . . 0.0 110.774 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -58.83 -53.51 46.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.02 -51.7 66.83 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -64.08 -43.37 95.61 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -173.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -52.61 -51.43 59.98 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.757 0.423 . . . . 0.0 110.493 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.08 -48.6 67.71 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -174.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.4 m -49.58 -45.27 47.61 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.323 1.049 . . . . 0.0 111.685 171.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.09 -32.05 74.74 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.4 1.0 . . . . 0.0 111.706 -175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -61.56 -45.55 93.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 117.769 0.784 . . . . 0.0 109.701 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -161.97 103.83 1.16 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.429 0.633 . . . . 0.0 111.317 168.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.05 162.0 12.7 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 108.225 -1.95 . . . . 0.0 108.225 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 60.67 3.04 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.552 0.741 . . . . 0.0 111.608 -171.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.91 -62.08 0.36 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.24 2.216 . . . . 0.0 112.864 171.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -95.49 14.32 23.1 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.114 2.166 . . . . 0.0 111.268 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -142.36 144.97 33.41 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 120.01 1.277 . . . . 0.0 111.489 -169.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.63 125.01 50.82 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.281 1.432 . . . . 0.0 110.293 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -67.57 172.97 4.52 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -57.39 -39.29 75.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.683 -0.636 . . . . 0.0 111.452 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -60.96 -52.4 65.19 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.967 0.907 . . . . 0.0 110.255 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.56 -41.9 83.49 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 119.019 -0.515 . . . . 0.0 110.32 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.56 -48.56 81.2 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.309 0.504 . . . . 0.0 109.731 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -53.84 -57.5 10.68 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -62.2 -46.32 89.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -174.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.2 tm? -48.98 -54.4 15.78 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.828 1.251 . . . . 0.0 110.553 176.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.3 mm -63.6 -52.14 61.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 118.864 0.756 . . . . 0.0 109.823 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -53.28 -48.37 68.38 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.355 0.597 . . . . 0.0 110.988 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.58 -55.02 12.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.672 1.189 . . . . 0.0 110.021 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -83.58 -43.97 15.11 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.471 -170.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.8 39.59 0.93 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.579 1.081 . . . . 0.0 109.452 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -62.39 -30.45 71.21 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.531 1.132 . . . . 0.0 111.507 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -102.13 -41.59 6.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.328 1.051 . . . . 0.0 108.979 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.34 -47.24 85.12 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.475 1.11 . . . . 0.0 112.682 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.74 167.47 13.44 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 111.561 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.38 162.27 29.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.051 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.3 130.91 44.83 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.072 0.949 . . . . 0.0 109.192 171.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.29 92.44 2.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 125.557 1.543 . . . . 0.0 108.277 -172.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -85.69 -56.04 3.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.633 1.173 . . . . 0.0 110.218 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.08 102.74 0.11 Allowed 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.582 1.553 . . . . 0.0 112.446 -169.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -51.6 -34.92 39.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.748 1.219 . . . . 0.0 111.839 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -57.63 -42.11 82.72 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.735 -0.603 . . . . 0.0 109.778 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -73.51 -45.59 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 118.669 -0.681 . . . . 0.0 110.059 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -56.02 -46.15 80.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.082 0.855 . . . . 0.0 109.526 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -56.0 -48.7 75.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.631 1.172 . . . . 0.0 110.912 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -60.21 -49.9 75.8 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.486 0.584 . . . . 0.0 111.258 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.58 -40.61 86.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 118.705 0.684 . . . . 0.0 110.747 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -69.18 -45.32 70.26 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.566 -0.709 . . . . 0.0 110.748 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -53.39 -43.82 68.18 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.611 -0.68 . . . . 0.0 110.399 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.3 m -54.41 -34.2 60.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.156 0.982 . . . . 0.0 110.73 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -104.31 7.08 35.71 Favored 'General case' 0 C--O 1.226 -0.146 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -74.64 67.79 1.59 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.421 1.009 . . . . 0.0 110.754 -177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -52.61 -35.92 55.31 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.07 1.348 . . . . 0.0 110.886 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -71.43 -14.7 62.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.174 0.99 . . . . 0.0 111.483 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.32 35.12 54.97 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -172.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -117.39 12.1 14.14 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.85 1.26 . . . . 0.0 109.753 -172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.02 -73.48 0.86 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -57.28 131.33 49.69 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.08 0.952 . . . . 0.0 111.917 -176.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.01 125.36 30.71 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -175.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -76.82 159.81 29.78 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 117.926 0.33 . . . . 0.0 110.449 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -48.54 -43.89 35.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.53 0.732 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -53.38 -42.62 67.1 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 117.794 0.27 . . . . 0.0 111.403 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -74.39 -42.35 59.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.266 1.026 . . . . 0.0 109.85 -175.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.61 -50.22 63.52 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.6 mtp -61.68 -36.94 82.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.966 -0.459 . . . . 0.0 112.025 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.38 93.77 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.644 0.656 . . . . 0.0 111.161 173.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.47 -52.42 64.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.628 0.728 . . . . 0.0 109.187 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -51.82 -42.33 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.937 0.495 . . . . 0.0 110.193 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.54 65.26 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.9 ptp -57.89 -46.28 85.13 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.896 0.771 . . . . 0.0 110.756 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.3 mm -57.94 -55.79 19.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.33 0.586 . . . . 0.0 109.718 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.9 m -58.47 -44.56 89.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.959 0.904 . . . . 0.0 109.312 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -59.32 -50.15 75.08 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.203 0.456 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.3 81.88 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.977 -0.452 . . . . 0.0 110.2 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.93 -39.99 87.39 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.188 -0.32 . . . . 0.0 111.83 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -58.68 -53.26 60.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.604 0.761 . . . . 0.0 109.55 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -55.5 -46.14 76.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.455 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -57.01 13.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.494 0.664 . . . . 0.0 110.461 172.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -59.09 -37.32 76.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.866 1.266 . . . . 0.0 111.208 -169.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.33 -60.35 2.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.139 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -85.26 70.67 10.87 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.452 0.644 . . . . 0.0 109.276 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 116.668 -1.635 . . . . 0.0 111.675 177.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 121.268 0.556 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.98 -52.63 62.23 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.051 0.54 . . . . 0.0 109.706 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 50.8 mt -61.65 -42.77 99.37 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.836 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -55.58 -43.51 76.02 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.389 0.541 . . . . 0.0 110.878 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -61.51 -52.59 63.86 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.67 65.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.59 0.709 . . . . 0.0 111.289 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.97 -55.68 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.994 1.718 . . . . 0.0 110.742 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.03 -34.55 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.01 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.8 -50.95 72.06 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.806 0.73 . . . . 0.0 110.609 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 3' ' ' LEU . 14.2 mt -54.51 -51.27 65.66 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.738 0.415 . . . . 0.0 110.338 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.22 -52.44 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.81 -49.51 67.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 122.758 0.423 . . . . 0.0 110.503 -171.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.68 -50.01 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.09 -52.58 60.52 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.936 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -53.69 -46.61 70.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.093 0.957 . . . . 0.0 111.004 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -52.46 -50.86 61.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -69.29 -55.26 11.01 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.936 0.494 . . . . 0.0 110.751 -174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 69.4 p -54.78 -38.22 67.0 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.707 0.803 . . . . 0.0 111.321 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.15 -31.07 72.03 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -53.1 12.03 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.782 0.791 . . . . 0.0 109.718 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -144.89 103.46 3.9 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.227 0.537 . . . . 0.0 111.38 173.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.83 162.96 15.63 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.662 -1.775 . . . . 0.0 108.662 173.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.78 58.18 1.81 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 117.687 0.743 . . . . 0.0 110.684 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 91.7 mttt 64.53 -63.05 0.17 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.752 2.421 . . . . 0.0 112.227 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -94.82 18.63 11.44 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.478 1.911 . . . . 0.0 110.94 -171.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -143.56 157.48 44.39 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.361 0.664 . . . . 0.0 110.009 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -116.76 126.92 53.82 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.664 1.186 . . . . 0.0 110.009 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -64.78 168.25 6.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 169.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -55.5 -39.17 70.13 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.039 -0.413 . . . . 0.0 111.277 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 p -59.66 -52.82 63.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.234 0.614 . . . . 0.0 109.924 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.27 -48.61 72.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.638 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.81 -44.22 77.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.579 0.752 . . . . 0.0 110.042 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -54.93 -60.67 3.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.73 -35.73 81.57 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 119.359 -0.936 . . . . 0.0 110.381 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.435 ' C ' HD13 ' B' ' 35' ' ' LEU . 1.9 tm? -54.25 -55.43 28.17 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.386 1.074 . . . . 0.0 108.927 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.09 -53.83 41.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 CA-C-N 118.365 0.53 . . . . 0.0 109.875 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -47.96 -52.5 19.45 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.029 0.531 . . . . 0.0 111.179 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -73.28 -56.74 4.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.742 0.306 . . . . 0.0 110.246 -173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -78.35 -41.27 33.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -169.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.53 -0.74 57.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.078 -171.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.6 p -41.09 -40.55 1.52 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 112.463 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.65 -35.18 78.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.475 1.51 . . . . 0.0 111.772 -175.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -105.76 -40.78 5.63 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.085 1.354 . . . . 0.0 111.618 -173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tt -125.65 139.62 53.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.19 1.396 . . . . 0.0 108.476 -169.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.47 154.65 16.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.318 0.247 . . . . 0.0 111.132 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -58.26 151.34 19.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.566 0.746 . . . . 0.0 109.981 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -130.93 90.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 125.094 1.358 . . . . 0.0 108.442 -172.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -81.47 -31.3 33.04 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.675 0.79 . . . . 0.0 111.244 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -71.99 93.72 1.4 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.726 0.81 . . . . 0.0 111.238 -169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -45.08 -38.04 4.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.792 1.237 . . . . 0.0 113.018 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.63 -41.73 81.97 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.352 -0.842 . . . . 0.0 110.611 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 60.5 t -73.24 -43.96 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.991 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -57.52 -45.23 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.043 0.838 . . . . 0.0 109.327 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.43 -47.5 81.61 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.157 0.983 . . . . 0.0 110.127 173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -59.89 -50.61 73.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.591 0.632 . . . . 0.0 111.496 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.8 -38.7 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.392 0.542 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -75.24 -42.78 54.45 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.897 -0.502 . . . . 0.0 111.345 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -52.66 -44.5 66.21 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.965 0.906 . . . . 0.0 109.907 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -54.0 -33.42 57.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.002 0.921 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 63.5 mt -104.85 7.74 34.52 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -74.23 66.97 1.33 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.332 0.969 . . . . 0.0 111.182 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 81.0 p -52.42 -36.97 55.61 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 125.376 1.47 . . . . 0.0 110.767 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.72 -14.72 62.1 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.341 1.057 . . . . 0.0 111.682 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.79 35.62 58.38 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -117.07 7.77 13.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.916 1.287 . . . . 0.0 110.338 -173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.31 -67.98 1.46 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -169.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.16 127.12 27.68 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 110.718 -176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.19 121.39 25.54 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 158.77 34.75 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.816 0.446 . . . . 0.0 110.401 -174.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.97 -42.01 36.2 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.223 0.609 . . . . 0.0 111.571 176.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.94 -49.53 59.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.198 0.599 . . . . 0.0 111.613 171.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -69.99 -39.59 75.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.753 0.821 . . . . 0.0 109.979 -174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -54.85 -52.5 62.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 169.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 95.1 mmm -57.88 -38.69 76.23 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.447 0.567 . . . . 0.0 111.616 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.68 86.15 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.829 -0.544 . . . . 0.0 111.247 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -59.56 -52.17 66.69 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 54.6 t -51.22 -46.44 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.208 0.603 . . . . 0.0 109.455 174.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.51 65.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.578 0.626 . . . . 0.0 112.004 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.2 ptp -58.16 -45.34 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.914 0.779 . . . . 0.0 111.036 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.8 -53.83 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.379 0.609 . . . . 0.0 109.568 -178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 55.0 m -58.7 -42.16 87.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.782 0.833 . . . . 0.0 110.017 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.9 m -62.49 -49.4 75.52 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.852 -0.53 . . . . 0.0 110.308 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.97 72.48 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.386 0.613 . . . . 0.0 110.091 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.17 -43.34 95.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.836 175.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -59.29 -47.76 84.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 119.653 1.115 . . . . 0.0 111.178 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -64.15 -39.32 93.76 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.583 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -59.89 -41.32 91.36 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.749 0.309 . . . . 0.0 110.62 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -57.86 -35.06 70.41 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.306 1.442 . . . . 0.0 109.675 -175.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -74.84 -73.22 0.25 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -88.24 73.14 8.95 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.436 -0.79 . . . . 0.0 109.626 -174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.761 -1.114 . . . . 0.0 111.269 178.727 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -126.89 20.56 7.01 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.244 1.017 . . . . 0.0 110.826 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.93 90.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 57.07 42.07 26.44 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.479 1.112 . . . . 0.0 110.074 -169.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 28.39 -104.81 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.45 1.9 . . . . 0.0 113.514 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p 55.54 -79.94 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.864 2.065 . . . . 0.0 113.926 170.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.63 -66.41 0.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 126.111 1.764 . . . . 0.0 109.185 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 34.67 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 128.999 2.92 . . . . 0.0 115.282 -172.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.85 90.58 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 52.3 1.75 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -51.4 -44.99 62.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.514 1.126 . . . . 0.0 112.076 -169.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -53.44 -31.57 45.96 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -175.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -11.27 59.79 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -176.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -47.53 -48.23 27.58 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.216 0.916 . . . . 0.0 111.104 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.35 -15.96 50.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 112.165 -176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 83.5 mt -97.01 -41.64 8.28 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.724 0.81 . . . . 0.0 112.046 -171.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -44.86 -50.89 10.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.743 0.817 . . . . 0.0 112.676 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.43 -23.58 57.86 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -60.77 -40.19 91.59 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 119.134 0.879 . . . . 0.0 110.449 171.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -51.91 67.97 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 175.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -59.16 -39.9 83.91 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.86 -36.75 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 122.127 -0.358 . . . . 0.0 110.948 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 tp -71.69 -39.09 70.43 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.719 -0.613 . . . . 0.0 110.881 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.28 65.25 0.41 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 126.449 1.976 . . . . 0.0 108.416 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -64.46 0.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.282 1.433 . . . . 0.0 109.166 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.428 -1.272 . . . . 0.0 109.055 173.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? 64.97 -63.47 0.18 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.195 1.798 . . . . 0.0 111.939 -176.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -51.49 117.58 2.74 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 170.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 66.52 2.34 2.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.706 1.602 . . . . 0.0 114.133 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -61.86 1.53 Allowed 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 65.8 m 49.11 -94.71 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.779 2.032 . . . . 0.0 111.889 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.5 56.22 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.994 0.918 . . . . 0.0 112.005 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -73.15 60.11 0.56 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.107 0.963 . . . . 0.0 110.047 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.64 47.7 1.5 Allowed 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.062 0.945 . . . . 0.0 109.137 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -83.22 57.56 4.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -49.03 -37.31 20.36 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.86 1.264 . . . . 0.0 112.614 -169.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -44.6 -34.88 2.33 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.357 1.063 . . . . 0.0 112.822 175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -51.05 -35.37 34.28 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.662 0.785 . . . . 0.0 111.686 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -53.2 -50.28 65.01 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.646 0.778 . . . . 0.0 110.53 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -83.12 -45.94 13.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.8 -14.47 61.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.555 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -44.73 -45.35 9.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.476 1.111 . . . . 0.0 110.435 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.09 -53.0 62.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.714 0.405 . . . . 0.0 110.155 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -55.22 -49.06 72.93 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.994 0.918 . . . . 0.0 109.861 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -49.36 66.26 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.521 1.128 . . . . 0.0 109.411 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 45.4 m -60.3 -48.26 82.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.011 0.524 . . . . 0.0 109.671 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -63.3 -37.47 87.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.531 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 tt -72.98 -39.12 66.38 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.735 -0.603 . . . . 0.0 110.421 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.5 60.25 0.36 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.974 -1.651 . . . . 0.0 108.974 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.35 13.31 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.781 2.032 . . . . 0.0 115.72 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.192 -177.069 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.18 -40.1 76.64 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.21 -48.83 74.34 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -56.17 -41.41 75.44 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.599 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -62.54 -54.06 45.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.59 40.14 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.255 0.622 . . . . 0.0 110.303 175.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 t -53.41 -55.42 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 124.662 1.185 . . . . 0.0 111.304 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -62.53 -31.45 51.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 O-C-N 121.301 -0.875 . . . . 0.0 111.278 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.25 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.932 1.242 . . . . 0.0 110.88 171.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -54.61 -50.71 67.41 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.112 0.415 . . . . 0.0 110.068 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.95 -51.31 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 122.455 0.302 . . . . 0.0 110.657 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.92 -51.14 62.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.394 1.078 . . . . 0.0 110.409 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.48 -54.58 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.331 0.652 . . . . 0.0 109.814 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.63 -53.22 60.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.444 -0.785 . . . . 0.0 111.955 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -65.95 -40.29 91.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.757 -169.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -63.43 -48.59 77.16 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.695 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -55.48 -52.95 61.94 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -56.69 -25.92 55.36 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.327 1.051 . . . . 0.0 112.777 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.99 -44.38 24.06 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -58.05 -51.7 68.58 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.618 0.709 . . . . 0.0 110.937 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -140.09 104.56 4.86 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 169.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.43 -144.48 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 106.641 -2.584 . . . . 0.0 106.641 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -138.22 31.88 2.38 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.831 0.816 . . . . 0.0 111.323 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttp 69.13 -40.14 0.44 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.392 1.477 . . . . 0.0 113.481 -175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -81.46 -16.74 51.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.959 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -138.73 141.54 38.89 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.228 1.011 . . . . 0.0 111.858 -172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.7 mt -96.88 130.7 44.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.559 1.144 . . . . 0.0 110.09 175.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -70.92 169.11 15.5 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 168.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -35.12 73.75 Favored 'General case' 0 C--O 1.227 -0.109 0 O-C-N 121.633 -0.667 . . . . 0.0 112.119 173.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -60.21 -52.62 64.52 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -48.52 75.95 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.108 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.69 -44.77 77.68 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.6 0.76 . . . . 0.0 109.323 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -56.07 -59.48 4.85 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.116 -0.99 . . . . 0.0 111.011 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -63.6 -39.08 93.46 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.15 -0.969 . . . . 0.0 111.231 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.3 tm? -51.57 -54.48 27.12 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 125.918 1.687 . . . . 0.0 109.643 174.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 mm -58.52 -55.34 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -51.36 -55.91 15.97 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.489 0.661 . . . . 0.0 111.322 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -70.16 -42.91 71.87 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.475 1.11 . . . . 0.0 111.299 -169.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -104.52 -19.87 13.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 tp -113.29 14.43 19.29 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.749 1.159 . . . . 0.0 111.422 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.77 -44.46 9.35 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.465 2.306 . . . . 0.0 115.461 -169.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -69.39 -28.48 66.21 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.568 -0.707 . . . . 0.0 110.818 -177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -94.39 -47.58 6.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.774 0.83 . . . . 0.0 110.216 -174.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.58 132.89 55.56 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.947 0.899 . . . . 0.0 109.6 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.99 167.78 20.39 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.555 0.534 . . . . 0.0 111.352 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.78 125.01 13.81 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.909 1.683 . . . . 0.0 110.947 -176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.0 mm -73.59 113.39 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 123.422 0.689 . . . . 0.0 109.792 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -87.03 -59.22 2.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -88.85 85.59 6.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.011 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -39.29 -44.23 1.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.674 1.189 . . . . 0.0 111.741 172.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -57.92 -31.31 66.66 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 0.0 111.452 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.3 -44.32 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 O-C-N 121.692 -0.63 . . . . 0.0 109.674 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.04 -37.04 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 120.13 1.332 . . . . 0.0 110.208 176.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.64 -44.61 73.34 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -61.49 -50.65 71.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.77 -0.581 . . . . 0.0 111.79 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.6 -32.66 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.574 1.079 . . . . 0.0 111.38 -174.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.3 ptm -78.52 -44.7 23.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.066 0.394 . . . . 0.0 110.031 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.51 -40.07 62.0 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.107 0.963 . . . . 0.0 110.449 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.5 m -53.3 -35.29 59.96 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.199 1.4 . . . . 0.0 110.459 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.2 mt -105.32 6.53 32.82 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.741 1.216 . . . . 0.0 112.886 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.19 70.4 2.83 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.346 0.975 . . . . 0.0 112.094 -169.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.1 p -48.41 -37.71 17.7 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.981 1.712 . . . . 0.0 111.036 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.86 -15.74 62.13 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.667 0.787 . . . . 0.0 111.374 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.44 32.45 23.01 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.841 0.734 . . . . 0.0 112.099 -174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -118.22 7.64 12.14 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.152 0.981 . . . . 0.0 110.57 -171.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.4 -68.05 1.49 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.85 132.88 54.68 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 173.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 m -108.01 133.91 51.65 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.143 0.977 . . . . 0.0 110.815 -169.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.75 167.34 19.2 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -171.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -47.83 -45.2 29.62 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.988 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -54.05 -43.68 70.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.102 0.561 . . . . 0.0 112.192 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.13 -40.96 51.55 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.285 0.564 . . . . 0.0 109.75 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.15 -51.4 58.16 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.3 tpp -58.67 -43.18 89.8 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.849 0.859 . . . . 0.0 111.635 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.06 86.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.96 -52.07 66.96 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.963 0.505 . . . . 0.0 109.807 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.94 -45.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.599 0.759 . . . . 0.0 110.155 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -53.79 54.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.817 0.447 . . . . 0.0 110.709 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -66.03 -43.1 88.57 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.353 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.2 -53.19 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.365 0.603 . . . . 0.0 109.597 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m -62.81 -46.66 86.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.145 -178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -58.2 -48.86 79.03 Favored 'General case' 0 N--CA 1.458 -0.052 0 CA-C-N 117.992 0.36 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.59 79.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.06 -45.93 89.55 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.221 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -56.61 -53.77 53.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.393 0.677 . . . . 0.0 110.393 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -51.98 -47.91 64.62 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.296 0.638 . . . . 0.0 110.412 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -78.03 -32.15 50.87 Favored 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.991 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.75 -36.79 74.91 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.643 0.777 . . . . 0.0 109.443 174.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.78 -69.77 0.42 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 110.461 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -123.6 89.61 3.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.481 1.512 . . . . 0.0 109.887 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 117.131 -1.414 . . . . 0.0 111.652 173.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.42 -49.39 70.07 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.43 0.692 . . . . 0.0 111.327 -172.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.69 -50.31 74.02 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.289 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -49.28 -46.27 46.11 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.469 0.577 . . . . 0.0 111.039 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -66.02 -50.29 64.73 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.597 0.359 . . . . 0.0 110.618 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -49.68 61.27 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.081 0.552 . . . . 0.0 110.561 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 t -54.94 -56.01 13.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.028 1.331 . . . . 0.0 110.501 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -65.27 -31.61 54.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 118.731 -1.187 . . . . 0.0 111.03 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.87 79.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.94 0.791 . . . . 0.0 110.994 172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.37 -48.97 73.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.756 0.707 . . . . 0.0 110.065 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mt -58.95 -51.86 67.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.381 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.49 -51.68 68.85 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.18 0.592 . . . . 0.0 111.068 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 49.2 t -56.18 -55.29 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.0 -51.27 66.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.381 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -52.83 -46.82 67.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.871 0.868 . . . . 0.0 110.225 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -51.85 -51.29 57.73 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.929 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -75.33 -51.63 12.73 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 64.9 p -53.18 -32.96 50.56 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.383 -0.823 . . . . 0.0 112.06 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.84 -24.63 70.06 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -78.45 -53.18 7.52 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -175.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -144.24 104.17 4.07 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.975 0.417 . . . . 0.0 110.662 172.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.05 162.99 12.21 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.58 -2.208 . . . . 0.0 107.58 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -79.17 46.13 0.69 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.38 1.09 . . . . 0.0 110.777 -178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm 65.01 -44.96 0.34 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.767 2.427 . . . . 0.0 113.908 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -86.24 -0.11 55.02 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.789 1.235 . . . . 0.0 111.219 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -142.88 163.82 31.77 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.906 0.775 . . . . 0.0 111.848 -168.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.33 120.01 33.83 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.912 1.685 . . . . 0.0 110.762 -177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -64.77 168.44 6.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.823 0.738 . . . . 0.0 109.509 169.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -55.8 -39.36 71.2 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.041 -0.412 . . . . 0.0 111.577 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -59.6 -52.42 65.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.467 0.707 . . . . 0.0 109.81 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.51 -49.78 69.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.39 -49.38 70.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.137 1.375 . . . . 0.0 109.509 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.18 -61.85 2.05 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -63.95 -42.23 97.37 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.594 -173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.02 -54.51 15.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.755 1.222 . . . . 0.0 110.034 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.39 -56.4 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.808 0.731 . . . . 0.0 110.028 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -52.03 -48.61 64.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.461 0.573 . . . . 0.0 110.167 -175.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -75.38 -54.88 6.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.956 0.407 . . . . 0.0 110.937 -173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.72 -16.54 36.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -169.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.42 8.57 29.62 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.587 0.755 . . . . 0.0 110.629 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -42.75 -51.38 5.38 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 126.973 2.109 . . . . 0.0 113.333 -173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -21.45 62.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.412 0.685 . . . . 0.0 111.468 -175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -98.48 -65.41 0.96 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.765 0.711 . . . . 0.0 109.115 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.94 122.44 29.99 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 111.387 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 167.06 4.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.59 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -53.07 133.55 38.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.923 0.489 . . . . 0.0 110.679 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -97.15 -55.2 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 124.293 1.037 . . . . 0.0 109.034 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt 68.94 -63.76 0.35 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.93 1.692 . . . . 0.0 113.762 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.97 97.57 0.08 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.855 1.262 . . . . 0.0 111.528 -170.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -47.98 -32.23 6.26 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.103 0.961 . . . . 0.0 112.505 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -57.74 -48.59 79.17 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.65 -43.71 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.418 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -56.68 -45.98 82.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 119.854 1.207 . . . . 0.0 109.741 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.3 -49.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.298 1.039 . . . . 0.0 110.456 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -59.98 -50.8 72.34 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.123 0.42 . . . . 0.0 111.323 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.7 m -63.7 -48.62 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 118.752 0.706 . . . . 0.0 109.586 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.6 -38.84 92.39 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.762 -0.586 . . . . 0.0 111.455 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.18 -48.18 74.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 110.135 170.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 m -56.85 -38.53 72.8 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.884 -0.579 . . . . 0.0 111.433 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.1 mt -69.34 -47.89 63.03 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 119.559 1.072 . . . . 0.0 110.397 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -56.97 70.21 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.102 2.561 . . . . 0.0 114.601 -169.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.4 p -56.57 -24.49 47.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.072 1.349 . . . . 0.0 111.305 169.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.37 -15.49 62.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.1 35.72 50.0 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 118.522 0.601 . . . . 0.0 111.68 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -108.85 8.5 26.61 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.403 1.081 . . . . 0.0 109.746 -177.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.13 -70.34 1.55 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -169.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.4 125.29 23.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.641 0.776 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.88 121.85 24.0 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 125.428 1.491 . . . . 0.0 109.767 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.0 159.69 30.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 120.22 1.373 . . . . 0.0 111.252 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -49.15 -42.86 40.95 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.238 1.015 . . . . 0.0 112.403 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -59.96 -41.94 93.0 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.597 -0.69 . . . . 0.0 111.434 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.79 -44.81 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.403 1.081 . . . . 0.0 108.408 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -51.59 -50.16 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.174 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -41.53 81.37 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 121.645 -0.659 . . . . 0.0 111.668 175.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.39 94.09 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.939 -0.475 . . . . 0.0 110.956 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.56 -52.47 64.28 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.67 -0.644 . . . . 0.0 110.159 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 45.0 t -51.21 -42.31 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.051 0.54 . . . . 0.0 109.579 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.73 54.8 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 122.746 0.418 . . . . 0.0 111.486 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -63.72 -42.65 97.88 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 119.791 -0.764 . . . . 0.0 111.177 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mm -56.0 -55.8 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.593 0.711 . . . . 0.0 109.533 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 71.9 m -60.93 -43.89 98.0 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.467 0.707 . . . . 0.0 110.303 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -62.3 -51.66 66.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.93 -45.55 71.25 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.993 -0.442 . . . . 0.0 110.3 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.54 -56.58 20.0 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.289 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -47.82 -49.06 30.22 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.766 1.226 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.85 -47.48 64.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.341 0.256 . . . . 0.0 110.975 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.78 95.64 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.313 0.578 . . . . 0.0 110.299 174.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -58.8 -36.32 74.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.874 0.87 . . . . 0.0 109.83 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.19 -61.86 1.8 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -80.39 70.86 7.15 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.327 -1.32 . . . . 0.0 110.029 -172.618 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.687 0.28 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -77.77 63.99 2.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.905 0.482 . . . . 0.0 109.839 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -77.43 60.73 2.11 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 109.721 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? 68.29 -63.71 0.32 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 127.289 2.236 . . . . 0.0 110.83 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.279 15.8 ptp180 58.44 -56.46 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.268 3.027 . . . . 0.0 115.995 173.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -73.1 64.64 0.75 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.175 1.79 . . . . 0.0 112.321 -170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.66 -31.72 38.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.762 1.225 . . . . 0.0 113.131 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -61.74 -18.92 61.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.325 1.05 . . . . 0.0 113.34 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.41 126.9 8.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.109 0.964 . . . . 0.0 111.302 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . 0.271 2.6 mmp_? 66.03 -38.85 0.3 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.952 2.101 . . . . 0.0 115.4 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -52.35 -42.03 63.57 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.623 1.101 . . . . 0.0 109.658 170.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -45.11 -39.0 5.54 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.484 1.113 . . . . 0.0 113.005 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -96.3 -2.07 46.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.508 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -48.56 -46.45 39.03 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.693 1.133 . . . . 0.0 111.68 -171.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -42.18 90.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.941 0.497 . . . . 0.0 110.036 -176.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 91.7 mt -83.04 -20.58 34.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.192 0.997 . . . . 0.0 111.515 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -52.64 -31.04 34.79 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.007 0.821 . . . . 0.0 110.961 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.06 -17.47 2.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.263 1.025 . . . . 0.0 112.793 175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -51.67 -30.8 23.26 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.182 0.901 . . . . 0.0 111.357 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.43 -51.98 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.326 0.651 . . . . 0.0 109.271 170.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 77.8 m -77.69 -26.39 50.19 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.342 0.657 . . . . 0.0 111.538 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -37.25 80.02 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 171.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 mp -77.29 -40.57 43.98 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.244 0.475 . . . . 0.0 109.962 171.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.47 57.23 0.43 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.397 0.998 . . . . 0.0 111.623 -171.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mp -51.18 -49.76 60.32 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.072 0.949 . . . . 0.0 109.986 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 125.213 1.405 . . . . 0.0 111.274 175.418 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -76.97 45.22 0.42 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.476 0.71 . . . . 0.0 112.437 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 62.8 tp -71.76 127.0 31.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 170.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.2 62.87 0.69 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.659 1.184 . . . . 0.0 111.589 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -87.86 -43.56 11.72 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.032 1.333 . . . . 0.0 109.888 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -42.62 118.26 1.19 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.386 1.874 . . . . 0.0 111.429 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.58 -59.27 0.5 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.908 1.683 . . . . 0.0 112.121 -177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -52.1 -36.53 51.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.002 0.921 . . . . 0.0 113.009 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.35 70.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.174 0.59 . . . . 0.0 112.027 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -76.56 72.35 3.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -43.65 -43.13 5.63 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.51 . . . . 0.0 113.58 -169.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.42 -34.56 7.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 32.2 m -43.61 -42.14 4.99 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.559 1.143 . . . . 0.0 111.714 173.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -48.75 -42.0 34.07 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.042 0.537 . . . . 0.0 111.204 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.44 -44.79 11.06 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.046 0.538 . . . . 0.0 109.938 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.47 -22.63 66.38 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.996 0.518 . . . . 0.0 112.044 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -41.36 -50.76 3.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.667 1.587 . . . . 0.0 111.467 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.21 -38.91 84.8 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.355 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -65.03 -51.6 60.69 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -54.66 -48.16 72.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.707 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -60.73 -52.74 63.83 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.657 0.383 . . . . 0.0 110.12 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -62.24 -37.15 84.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.492 0.317 . . . . 0.0 111.606 -174.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.06 -40.15 68.51 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.21 -27.09 38.15 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.371 1.462 . . . . 0.0 113.333 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 mt -61.76 -20.75 63.9 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.161 0.981 . . . . 0.0 112.51 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.329 172.612 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.38 -53.03 40.59 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.386 0.674 . . . . 0.0 111.052 -169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 HD23 ' B' ' 10' ' ' LEU . 26.7 mt -55.59 -37.31 67.91 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.857 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -55.39 -41.1 72.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.869 0.759 . . . . 0.0 111.889 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -64.53 -50.62 66.64 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.934 -0.479 . . . . 0.0 109.748 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.1 65.8 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.352 0.596 . . . . 0.0 110.545 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.22 -56.37 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.681 1.192 . . . . 0.0 110.677 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.5 -35.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.724 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.96 62.68 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.427 0.558 . . . . 0.0 110.606 172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.45 -49.19 73.11 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 122.679 0.392 . . . . 0.0 110.786 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -56.47 -51.83 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.15 -51.35 68.22 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.072 0.549 . . . . 0.0 110.991 -175.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -52.43 -56.05 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.047 -0.724 . . . . 0.0 109.047 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -52.73 -52.6 55.65 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 119.096 -0.478 . . . . 0.0 109.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -53.17 -48.26 68.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.368 0.667 . . . . 0.0 110.835 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -49.93 63.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.55 -48.0 36.4 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.0 p -58.72 -34.39 71.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.08 -1.012 . . . . 0.0 110.924 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.14 -24.68 70.55 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtp-105 -74.18 -53.23 10.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 117.594 0.697 . . . . 0.0 109.343 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -144.42 105.82 4.25 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 122.958 0.503 . . . . 0.0 110.617 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.08 163.33 11.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.04 59.76 2.25 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 117.35 0.575 . . . . 0.0 110.837 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 65.07 -60.73 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.863 2.465 . . . . 0.0 112.228 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -85.47 13.51 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.065 1.346 . . . . 0.0 112.316 -176.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -140.38 143.09 35.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 119.047 0.839 . . . . 0.0 109.916 -169.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.91 122.02 43.72 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.12 0.968 . . . . 0.0 108.445 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -66.87 161.56 23.67 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.236 0.925 . . . . 0.0 109.721 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -53.02 -40.6 64.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.656 0.662 . . . . 0.0 112.34 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 p -54.03 -50.63 66.25 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.808 0.843 . . . . 0.0 110.513 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -67.62 -49.55 62.45 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.41 0.684 . . . . 0.0 109.332 -173.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.97 -51.28 64.37 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.533 1.533 . . . . 0.0 108.335 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -56.12 -62.47 1.69 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.261 0.624 . . . . 0.0 110.354 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -62.3 -43.36 98.99 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.692 -0.803 . . . . 0.0 111.072 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.3 tp -56.04 -55.43 33.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.159 0.584 . . . . 0.0 109.871 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.6 -48.17 85.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.835 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -46.88 -50.73 18.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.291 0.636 . . . . 0.0 110.43 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -78.34 -56.29 4.57 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.081 -175.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -82.57 -12.83 57.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 115.367 1.617 . . . . 0.0 115.367 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -111.17 5.84 20.31 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.914 0.886 . . . . 0.0 110.95 173.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 p -41.5 -44.19 2.87 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 126.067 1.747 . . . . 0.0 113.335 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -30.36 70.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 111.38 -172.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.21 -48.18 5.74 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tt -113.64 118.87 35.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.76 1.224 . . . . 0.0 110.086 -169.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.28 153.44 43.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.82 0.848 . . . . 0.0 111.281 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -46.56 117.22 1.54 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.15 1.38 . . . . 0.0 111.504 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.21 58.51 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -54.15 -38.61 65.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.678 0.791 . . . . 0.0 112.118 -171.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -70.68 90.31 0.76 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.056 0.942 . . . . 0.0 110.299 -176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -36.79 -49.76 0.8 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.654 1.582 . . . . 0.0 111.497 174.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -58.17 -36.5 73.14 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.721 -0.612 . . . . 0.0 110.843 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -71.1 -39.34 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.524 -0.75 . . . . 0.0 110.325 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.1 -50.01 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.658 1.117 . . . . 0.0 109.068 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.84 -46.45 74.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.681 175.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -62.0 -50.22 72.95 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.831 0.741 . . . . 0.0 112.048 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -65.54 -32.32 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 O-C-N 121.833 -0.542 . . . . 0.0 110.185 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ttm -63.56 -53.54 50.21 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.677 -0.64 . . . . 0.0 109.538 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.98 -48.75 70.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 -171.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.5 t -59.72 -25.22 64.65 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.568 -178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -103.53 -14.73 16.08 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.831 0.741 . . . . 0.0 112.372 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -71.3 76.07 0.73 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.707 0.685 . . . . 0.0 111.805 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 p -44.34 -42.88 7.12 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.346 1.858 . . . . 0.0 111.697 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -73.21 -17.9 61.3 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 124.123 0.969 . . . . 0.0 112.472 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.23 40.05 51.82 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.523 1.535 . . . . 0.0 112.204 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -118.0 6.87 12.17 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.269 1.028 . . . . 0.0 111.288 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.67 25.67 72.9 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -149.51 129.4 13.38 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.835 1.654 . . . . 0.0 107.124 172.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 m -93.21 128.49 39.2 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -170.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.06 157.62 36.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.873 0.469 . . . . 0.0 110.515 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -47.67 -45.09 27.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.184 0.994 . . . . 0.0 110.829 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -51.88 -47.77 64.37 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.728 0.411 . . . . 0.0 111.584 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.37 -42.43 68.45 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 122.8 0.44 . . . . 0.0 109.936 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -51.98 -53.23 43.9 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.809 0.444 . . . . 0.0 109.867 172.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.32 -31.34 67.29 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.023 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.77 -0.581 . . . . 0.0 110.7 170.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.24 -52.28 66.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.5 t -51.46 -44.13 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.297 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.28 48.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.571 0.623 . . . . 0.0 111.441 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -67.79 -40.32 83.97 Favored 'General case' 0 CA--C 1.526 0.046 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.055 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.38 -51.99 57.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -59.29 -44.61 92.5 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.593 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -55.3 -50.14 70.32 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.872 0.76 . . . . 0.0 110.943 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.38 74.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 122.876 0.47 . . . . 0.0 110.834 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.9 t -62.69 -55.98 21.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.421 172.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -43.64 -52.77 6.18 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 127.205 2.202 . . . . 0.0 111.769 -176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -41.58 -48.64 4.04 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.27 1.028 . . . . 0.0 111.111 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -107.95 26.2 10.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.656 -172.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -109.84 -36.61 5.86 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -66.85 -61.02 2.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -82.53 70.82 9.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.447 -1.263 . . . . 0.0 109.341 177.033 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -58.43 -51.75 68.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.504 0.722 . . . . 0.0 109.807 -172.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.66 -51.52 66.95 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -53.08 -48.06 68.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.173 0.442 . . . . 0.0 112.109 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.19 -50.06 71.81 Favored 'General case' 0 CA--C 1.527 0.088 0 O-C-N 121.988 -0.445 . . . . 0.0 110.504 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.02 -50.91 57.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.49 0.716 . . . . 0.0 110.595 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -56.11 -56.37 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.917 1.287 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.86 -34.78 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 119.098 -1.041 . . . . 0.0 110.934 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.77 76.29 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.501 0.591 . . . . 0.0 110.652 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.406 HD23 HD22 ' A' ' 3' ' ' LEU . 28.8 mt -55.48 -51.72 66.04 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.979 0.512 . . . . 0.0 110.468 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.7 mt -57.23 -52.37 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -58.41 -52.45 65.58 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.328 0.651 . . . . 0.0 110.941 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.44 -58.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -57.72 -54.18 49.8 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.592 -171.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -25.18 65.41 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 123.334 0.396 . . . . 0.0 112.063 -169.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -75.0 -51.45 13.58 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.22 -51.72 67.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.086 0.469 . . . . 0.0 110.896 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.5 p -58.24 -22.35 51.85 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.175 0.99 . . . . 0.0 112.042 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.14 -30.28 67.69 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -71.78 -53.56 12.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.187 0.994 . . . . 0.0 110.743 -170.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -139.14 106.87 5.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.37 -115.69 0.74 Allowed Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 107.028 -2.429 . . . . 0.0 107.028 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -177.41 29.66 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.111 0.964 . . . . 0.0 111.74 -174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp 66.07 -30.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.124 1.37 . . . . 0.0 114.045 -171.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -84.9 -27.57 26.53 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.779 -1.2 . . . . 0.0 111.758 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -137.5 147.01 44.89 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.943 0.897 . . . . 0.0 111.254 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.6 mt -98.29 124.17 42.77 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.125 1.37 . . . . 0.0 109.18 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 165.82 24.58 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -37.9 62.22 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.136 0.974 . . . . 0.0 113.008 -172.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -59.96 -51.01 71.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.422 1.089 . . . . 0.0 109.777 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -68.26 -45.48 73.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.92 -50.6 68.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -54.82 -58.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.983 -0.448 . . . . 0.0 110.473 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.82 -40.72 92.11 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 118.576 -1.25 . . . . 0.0 110.607 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.479 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.1 tm? -49.87 -55.0 16.0 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.424 1.089 . . . . 0.0 109.695 175.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 7.4 mm -63.22 -50.77 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -56.59 -50.65 71.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.438 0.563 . . . . 0.0 111.212 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.24 -41.27 96.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.628 1.171 . . . . 0.0 110.63 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -93.79 -30.3 14.92 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 113.604 -169.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.14 37.59 2.43 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.387 1.075 . . . . 0.0 110.528 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -59.43 -18.98 43.92 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -104.89 -45.28 4.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.915 0.886 . . . . 0.0 110.617 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.7 -39.04 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.16 0.984 . . . . 0.0 112.238 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tp -125.28 142.26 51.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.768 0.827 . . . . 0.0 110.039 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.74 157.3 37.77 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.92 124.81 22.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.131 0.972 . . . . 0.0 110.853 -171.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -83.63 63.27 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.062 0.945 . . . . 0.0 109.483 -169.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -57.04 -40.71 77.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.974 0.91 . . . . 0.0 111.428 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.73 81.73 5.95 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -171.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.54 -39.51 1.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.37 1.468 . . . . 0.0 113.664 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -55.97 -36.26 67.64 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.416 1.007 . . . . 0.0 110.009 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 90.8 t -62.89 -30.93 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.403 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 m -60.76 -48.82 87.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 120.258 1.39 . . . . 0.0 108.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.66 -47.02 83.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.685 173.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.61 -50.38 74.09 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.542 -0.724 . . . . 0.0 111.393 -176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.13 -34.62 70.68 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.683 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ptm -67.02 -51.85 49.79 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.071 -1.052 . . . . 0.0 109.573 174.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -53.95 -49.14 69.38 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.765 1.226 . . . . 0.0 111.126 -174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -57.89 -23.7 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.764 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -103.84 0.87 30.8 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 112.096 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -77.24 71.15 3.72 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.165 0.893 . . . . 0.0 110.976 -170.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -57.86 -24.63 58.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.612 0.365 . . . . 0.0 111.665 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -73.76 -16.23 61.18 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.195 0.598 . . . . 0.0 111.823 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.69 37.2 13.79 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.147 0.88 . . . . 0.0 112.179 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -117.96 11.34 13.39 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.851 0.86 . . . . 0.0 110.077 -173.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.6 -72.51 1.49 Allowed Glycine 0 C--N 1.336 0.583 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 -171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -57.4 134.88 56.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.28 0.232 . . . . 0.0 110.912 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.9 130.69 46.94 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.899 0.879 . . . . 0.0 109.973 -171.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.19 162.05 29.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.495 0.718 . . . . 0.0 111.774 -172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -47.29 -42.44 20.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.658 0.783 . . . . 0.0 111.188 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -56.63 -45.21 81.68 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.274 0.488 . . . . 0.0 111.813 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.02 -41.42 77.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.411 -0.806 . . . . 0.0 109.709 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.81 -52.87 55.26 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.034 170.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 79.7 mmm -58.21 -40.04 80.59 Favored 'General case' 0 C--O 1.226 -0.157 0 O-C-N 121.973 -0.455 . . . . 0.0 111.538 177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.22 91.47 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.189 0.449 . . . . 0.0 111.087 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.17 -53.31 57.17 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.93 0.871 . . . . 0.0 109.303 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.38 -41.4 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.644 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.41 64.25 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.631 0.772 . . . . 0.0 111.491 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 19.5 ptp -57.71 -44.27 85.81 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.105 0.866 . . . . 0.0 110.279 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 7.4 mm -58.93 -53.22 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.156 0.503 . . . . 0.0 109.708 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 79.9 m -59.4 -40.51 86.84 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 122.746 0.419 . . . . 0.0 110.275 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 m -63.68 -48.88 75.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.304 0.502 . . . . 0.0 109.902 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.89 71.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.091 0.556 . . . . 0.0 110.736 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 52.1 t -63.41 -59.35 4.8 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.733 0.413 . . . . 0.0 110.565 176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -43.66 -45.71 7.03 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 127.938 2.495 . . . . 0.0 111.224 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -39.79 -42.51 1.28 Allowed 'General case' 0 C--N 1.34 0.188 0 C-N-CA 125.189 1.396 . . . . 0.0 111.312 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -106.93 -52.77 2.71 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.323 169.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.6 -10.27 2.16 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.759 1.624 . . . . 0.0 114.634 -168.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.91 -39.82 75.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.326 1.421 . . . . 0.0 108.737 168.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -78.08 71.02 4.53 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.634 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -75.59 69.22 2.3 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 mt 64.92 -167.18 0.22 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.353 1.061 . . . . 0.0 110.253 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.09 -69.23 0.18 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.188 1.395 . . . . 0.0 108.579 -169.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 45.56 59.5 3.58 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 111.865 170.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.03 -32.35 2.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.26 1.824 . . . . 0.0 114.548 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.98 27.18 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.283 1.033 . . . . 0.0 113.518 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 111.78 0.32 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.435 1.094 . . . . 0.0 111.905 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . 65.12 -70.56 0.09 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.292 1.837 . . . . 0.0 111.718 -176.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 67.97 -54.86 0.5 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.596 2.358 . . . . 0.0 114.973 171.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -44.5 -35.82 2.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.104 1.762 . . . . 0.0 113.62 -170.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.73 -41.26 4.74 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.575 1.15 . . . . 0.0 111.999 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -45.29 -40.59 7.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.955 1.302 . . . . 0.0 111.463 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -56.86 -23.65 45.82 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -107.48 -49.84 3.18 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.834 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.73 -12.59 4.42 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.491 1.116 . . . . 0.0 112.045 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttm105 -44.4 -34.38 1.99 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.412 1.085 . . . . 0.0 110.488 168.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.6 -44.68 37.21 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.578 0.626 . . . . 0.0 112.308 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -65.37 -50.45 65.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -55.43 -42.49 74.24 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 33.1 m -61.03 -57.49 12.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 122.987 0.515 . . . . 0.0 109.713 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -62.33 -38.32 89.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.087 0.403 . . . . 0.0 110.876 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.31 -35.0 78.92 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.434 0.694 . . . . 0.0 109.638 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.48 -25.78 9.11 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.498 1.047 . . . . 0.0 113.808 172.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.6 -24.77 63.72 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.879 1.339 . . . . 0.0 111.599 176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.502 -1.714 . . . . 0.0 111.78 176.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 60.5 tttp . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.656 0.265 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -84.05 63.67 7.75 Favored 'General case' 0 C--O 1.227 -0.105 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.37 -33.05 71.9 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 173.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 58.12 0.41 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.422 1.089 . . . . 0.0 110.199 169.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.2 -33.93 65.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.983 0.913 . . . . 0.0 112.422 -170.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 31.5 m 70.88 -57.01 0.61 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.044 1.738 . . . . 0.0 113.654 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.92 64.21 0.98 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.941 1.296 . . . . 0.0 112.059 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -79.09 6.08 10.38 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.876 1.271 . . . . 0.0 112.281 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 75.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.136 1.374 . . . . 0.0 112.279 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -88.35 177.98 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 169.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -43.48 -45.3 6.37 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -169.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -41.9 12.8 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.536 0.735 . . . . 0.0 111.688 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -22.5 66.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.519 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -48.81 -26.15 2.24 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.569 1.077 . . . . 0.0 111.767 169.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -111.5 -51.4 2.86 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.804 0.841 . . . . 0.0 109.211 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -14.56 62.26 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -48.66 -42.55 34.91 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 119.233 0.924 . . . . 0.0 110.797 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.91 -42.41 94.75 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.098 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -55.8 -55.44 32.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.913 0.485 . . . . 0.0 110.367 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -64.24 -32.36 73.91 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.846 179.397 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 86.8 m -60.65 -52.82 63.53 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 118.742 -0.647 . . . . 0.0 110.395 173.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -63.51 -35.94 82.11 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.55 1.068 . . . . 0.0 110.852 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.52 -39.32 94.12 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.826 0.284 . . . . 0.0 110.345 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.11 44.13 1.56 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.32 -48.27 70.86 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 117.871 0.835 . . . . 0.0 111.147 -171.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.252 1.215 0 CA-C-O 116.525 -1.702 . . . . 0.0 107.578 178.481 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.545 0.212 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -60.84 -51.99 66.97 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.773 0.829 . . . . 0.0 109.599 -173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.18 -53.42 53.6 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -53.59 -44.62 69.53 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.981 0.512 . . . . 0.0 111.192 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -53.55 56.01 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.72 -54.34 29.41 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.291 0.636 . . . . 0.0 110.233 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.67 -55.99 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.394 1.478 . . . . 0.0 110.681 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.68 -36.04 75.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 O-C-N 121.348 -0.845 . . . . 0.0 111.216 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.48 80.29 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.276 0.944 . . . . 0.0 110.802 174.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.35 -52.2 64.27 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.3 mt -56.15 -51.12 66.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.874 0.368 . . . . 0.0 110.076 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.05 -53.89 53.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.464 0.706 . . . . 0.0 110.603 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.8 t -66.6 -50.07 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.64 -53.92 40.39 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.964 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -69.15 -36.74 77.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.796 -169.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.67 -51.81 68.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -56.98 -51.44 69.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.36 0.527 . . . . 0.0 109.806 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.0 m -52.3 -24.42 7.44 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.769 1.628 . . . . 0.0 113.68 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.06 -25.92 61.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -78.69 -54.18 6.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.933 0.867 . . . . 0.0 110.418 -171.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -141.58 105.67 4.78 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 169.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.54 -144.9 11.09 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 106.457 -2.657 . . . . 0.0 106.457 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -147.58 38.75 0.95 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.804 0.802 . . . . 0.0 110.919 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm 71.66 -54.48 0.67 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.713 1.605 . . . . 0.0 111.933 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -78.14 -13.37 59.89 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 111.465 170.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -140.53 146.3 37.94 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.794 0.837 . . . . 0.0 111.662 -172.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -100.76 134.14 44.18 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.92 1.688 . . . . 0.0 109.18 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -80.31 167.34 20.38 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 169.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -53.32 -40.05 64.51 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.72 0.808 . . . . 0.0 112.135 -172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 p -60.29 -52.75 63.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.545 0.738 . . . . 0.0 109.827 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -63.74 -44.6 93.03 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.69 -53.14 58.87 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.788 0.835 . . . . 0.0 109.133 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -46.34 81.32 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.723 -0.611 . . . . 0.0 111.879 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.77 -39.63 80.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.949 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.27 -53.95 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -54.93 -52.11 46.63 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.226 0.921 . . . . 0.0 110.884 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -48.94 -41.61 34.54 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.284 0.493 . . . . 0.0 111.009 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.47 -54.61 8.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.895 -0.503 . . . . 0.0 110.075 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.55 -29.52 66.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -171.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.75 17.67 23.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.725 0.693 . . . . 0.0 111.024 175.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -44.38 -41.29 6.03 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.47 -8.97 20.64 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.378 1.071 . . . . 0.0 111.75 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -92.11 -40.2 11.17 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.649 1.18 . . . . 0.0 110.967 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tp -128.28 150.12 50.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.053 1.341 . . . . 0.0 109.74 -168.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.04 152.32 40.56 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.88 160.78 4.36 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.46 0.648 . . . . 0.0 111.632 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 53' ' ' VAL . 3.6 mt -127.33 122.7 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.556 1.143 . . . . 0.0 108.309 -176.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 -27.34 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.405 1.482 . . . . 0.0 112.22 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -67.1 87.34 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.005 0.922 . . . . 0.0 110.535 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -38.69 4.54 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.141 1.377 . . . . 0.0 112.869 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mp0 -58.81 -46.15 88.28 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.712 -0.618 . . . . 0.0 110.172 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.45 -40.21 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.858 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -58.64 -46.02 90.47 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.185 0.902 . . . . 0.0 109.982 177.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -54.69 -47.4 73.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.864 0.466 . . . . 0.0 110.319 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.37 -48.33 82.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.47 -39.68 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 O-C-N 121.327 -0.858 . . . . 0.0 109.571 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 ttm -52.87 -52.73 56.35 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.602 0.637 . . . . 0.0 110.051 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.53 -47.09 70.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.544 0.738 . . . . 0.0 110.347 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.6 m -56.47 -42.04 77.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.122 0.969 . . . . 0.0 110.668 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.8 mt -82.5 -30.78 29.65 Favored 'General case' 0 C--O 1.227 -0.125 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.23 69.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.988 2.115 . . . . 0.0 113.971 -169.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -57.77 -23.25 51.33 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.616 0.766 . . . . 0.0 111.786 171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.81 -15.93 61.62 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.942 -0.552 . . . . 0.0 111.419 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 34.64 34.46 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.698 0.681 . . . . 0.0 112.013 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -117.37 10.72 13.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.61 1.164 . . . . 0.0 110.085 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.56 -73.08 0.97 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 108.226 -1.95 . . . . 0.0 108.226 -169.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.39 127.78 31.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.983 0.913 . . . . 0.0 109.429 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.4 m -91.99 121.02 33.18 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 168.75 19.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.423 0.556 . . . . 0.0 111.571 -174.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -47.04 -48.03 22.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.534 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.67 -39.87 71.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.169 0.588 . . . . 0.0 112.181 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -72.29 -43.15 64.67 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.819 -0.55 . . . . 0.0 109.566 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -52.58 -50.89 62.08 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -39.28 81.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.617 0.367 . . . . 0.0 111.363 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.42 93.92 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.415 -0.803 . . . . 0.0 111.02 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.15 -50.93 71.2 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -51.01 -46.2 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.958 175.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.67 55.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.831 0.453 . . . . 0.0 110.97 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.7 ptp -59.77 -47.46 85.61 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.603 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.68 -52.06 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.8 m -60.22 -43.04 96.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -60.31 -46.81 88.58 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.464 0.574 . . . . 0.0 111.221 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.53 83.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.08 -0.387 . . . . 0.0 110.606 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.52 -45.42 93.9 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.979 0.512 . . . . 0.0 110.988 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -53.14 -57.18 11.34 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.746 1.219 . . . . 0.0 109.985 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -45.63 67.97 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.747 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -57.49 -46.48 83.69 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.391 0.276 . . . . 0.0 111.03 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.88 -38.82 83.3 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.149 0.179 . . . . 0.0 111.373 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.17 -58.37 3.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 110.724 -173.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.12 73.04 6.95 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.081 -1.437 . . . . 0.0 111.766 -173.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.572 0.225 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -50.29 -49.22 54.11 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.244 1.018 . . . . 0.0 110.789 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.98 -36.1 76.43 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.612 0.365 . . . . 0.0 111.416 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.13 -41.82 89.97 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.818 -0.551 . . . . 0.0 109.744 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -58.65 -51.58 69.34 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.54 -50.98 61.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.979 0.912 . . . . 0.0 110.613 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.81 -55.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.774 0.83 . . . . 0.0 111.03 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.4 -37.08 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 119.214 0.916 . . . . 0.0 110.955 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.62 81.22 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.176 0.444 . . . . 0.0 111.047 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -55.76 -49.82 72.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.633 0.651 . . . . 0.0 110.474 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 56.0 mt -56.45 -51.62 62.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.39 -52.61 63.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.835 0.854 . . . . 0.0 111.043 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.56 -54.87 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -52.35 -49.82 63.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.648 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -52.14 -44.41 64.54 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.102 0.41 . . . . 0.0 111.52 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.45 -49.27 72.9 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.478 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -73.05 -46.49 51.47 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.676 0.671 . . . . 0.0 112.082 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -65.07 -26.38 68.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.934 -1.104 . . . . 0.0 111.641 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.26 -24.7 69.19 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 119.385 -0.675 . . . . 0.0 112.118 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -79.12 -52.98 7.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.199 1.0 . . . . 0.0 111.495 -169.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -142.34 137.15 30.32 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.012 0.369 . . . . 0.0 110.373 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.0 -111.13 3.55 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 107.118 -2.393 . . . . 0.0 107.118 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -162.08 165.48 27.13 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 170.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -51.99 -27.96 15.22 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -82.6 -12.18 57.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.422 1.01 . . . . 0.0 113.038 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -137.39 161.53 36.05 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.653 1.115 . . . . 0.0 113.192 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.74 130.7 55.11 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.49 1.116 . . . . 0.0 109.669 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -73.2 169.22 17.52 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 169.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -54.64 -39.84 68.39 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.842 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -59.42 -52.88 63.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.633 0.651 . . . . 0.0 110.219 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -66.69 -47.67 71.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.889 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.24 -44.74 88.41 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.741 1.216 . . . . 0.0 110.223 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -55.82 -59.85 4.3 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.796 0.838 . . . . 0.0 109.912 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.83 -41.77 97.78 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.482 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' C ' HD13 ' B' ' 35' ' ' LEU . 2.0 tm? -49.1 -54.65 15.18 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.976 0.91 . . . . 0.0 109.782 174.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.21 -56.34 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 118.034 0.379 . . . . 0.0 110.056 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -47.58 -45.88 27.59 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.24 0.616 . . . . 0.0 111.063 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -82.48 -57.72 3.23 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.903 0.481 . . . . 0.0 111.143 -171.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.38 -7.89 33.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -168.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 tp -116.21 12.41 15.44 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.502 0.721 . . . . 0.0 110.22 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -42.38 -36.9 1.41 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.452 2.701 . . . . 0.0 114.397 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -85.33 -28.28 25.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.333 0.653 . . . . 0.0 110.702 -172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -92.46 -40.55 10.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.816 0.846 . . . . 0.0 110.086 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.83 131.07 57.05 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.838 1.255 . . . . 0.0 108.987 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.24 162.11 8.01 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.914 172.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -49.97 141.08 11.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.21 1.404 . . . . 0.0 111.141 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.58 86.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.664 1.586 . . . . 0.0 107.24 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -85.28 -28.2 25.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.679 1.192 . . . . 0.0 109.948 172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.99 85.33 0.99 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.519 1.128 . . . . 0.0 109.804 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -43.94 -39.61 4.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.982 1.313 . . . . 0.0 112.478 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.03 -42.31 85.06 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.873 0.869 . . . . 0.0 110.758 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.99 -46.15 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -56.09 -47.15 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.783 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -54.56 -46.15 73.61 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 175.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -60.22 -50.02 75.32 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 121.586 -0.696 . . . . 0.0 111.361 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.88 -33.37 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 119.736 -0.785 . . . . 0.0 111.168 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ptm -65.75 -51.27 60.54 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.404 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.14 -42.15 65.78 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.864 1.266 . . . . 0.0 110.413 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 8.3 m -53.46 -35.33 60.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.167 1.387 . . . . 0.0 110.558 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 67.0 mt -104.78 4.63 32.5 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.875 0.87 . . . . 0.0 113.001 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.41 70.91 3.86 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.359 -0.838 . . . . 0.0 110.967 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 97.1 p -50.22 -35.15 25.41 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.404 1.081 . . . . 0.0 111.491 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.92 -15.69 62.1 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.59 0.756 . . . . 0.0 111.537 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.63 35.09 29.37 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.612 0.625 . . . . 0.0 111.659 -173.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -117.24 10.38 13.75 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.228 1.011 . . . . 0.0 110.209 -171.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.21 -71.11 1.23 Allowed Glycine 0 C--N 1.337 0.588 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -169.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -62.06 132.9 54.39 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.143 0.577 . . . . 0.0 110.453 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.19 136.94 37.68 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 123.849 0.86 . . . . 0.0 109.829 -169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -77.46 160.37 28.73 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.149 0.58 . . . . 0.0 110.569 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -47.88 -41.75 25.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.274 0.629 . . . . 0.0 111.383 174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -56.95 -39.37 74.43 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.911 0.484 . . . . 0.0 111.98 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -78.08 -38.31 44.57 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.787 -0.571 . . . . 0.0 109.833 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -53.74 -48.17 69.92 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -46.75 80.34 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.332 0.653 . . . . 0.0 111.466 174.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.0 78.47 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.058 0.39 . . . . 0.0 111.556 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -65.08 -53.67 41.9 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 69.2 t -53.49 -37.93 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.556 -0.715 . . . . 0.0 110.177 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.29 -53.86 51.34 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.631 0.772 . . . . 0.0 111.222 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 13.1 ptp -57.97 -43.72 86.67 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.843 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mm -61.47 -51.13 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.97 -47.22 84.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 39.4 m -57.11 -50.46 72.73 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.03 82.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.879 0.472 . . . . 0.0 110.398 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 36.2 t -62.24 -47.22 85.37 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.405 -0.81 . . . . 0.0 111.547 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -52.29 -51.86 56.15 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 122.791 0.436 . . . . 0.0 109.885 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.2 -49.75 73.18 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -77.78 -7.97 57.34 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.091 -1.005 . . . . 0.0 111.696 -173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -90.55 -36.48 14.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.639 1.175 . . . . 0.0 110.278 174.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.75 -49.28 0.96 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -123.24 72.59 1.12 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.416 1.086 . . . . 0.0 110.371 -169.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 127.795 2.438 . . . . 0.0 114.263 -173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.407 0.146 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 141.61 57.87 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp 73.74 -47.18 0.65 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.995 1.718 . . . . 0.0 112.295 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -71.74 62.14 0.4 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.132 1.373 . . . . 0.0 110.897 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.85 54.47 2.45 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.472 1.109 . . . . 0.0 109.352 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -78.21 56.04 1.61 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.725 1.21 . . . . 0.0 111.562 -170.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.42 63.55 2.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.099 0.959 . . . . 0.0 109.738 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -75.95 62.35 1.6 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.115 0.966 . . . . 0.0 110.807 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.46 120.33 9.72 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 172.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -81.82 54.89 2.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.93 0.492 . . . . 0.0 109.909 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.66 51.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.364 1.066 . . . . 0.0 112.835 -171.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -48.11 -29.33 3.51 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.876 1.271 . . . . 0.0 112.974 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -42.01 -37.01 1.25 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.58 1.152 . . . . 0.0 112.015 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -47.21 -40.12 15.49 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.494 0.718 . . . . 0.0 111.584 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -104.88 -47.26 4.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.449 0.7 . . . . 0.0 111.537 170.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.2 -20.47 62.82 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.059 -1.025 . . . . 0.0 113.385 -173.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttp-105 -47.03 -41.5 16.7 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.211 0.914 . . . . 0.0 110.634 169.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.27 -46.73 85.49 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -58.79 -49.1 78.94 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.68 -44.46 90.24 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.072 -0.392 . . . . 0.0 110.651 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 99.3 m -59.59 -38.87 82.36 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 122.961 0.504 . . . . 0.0 109.947 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -31.99 14.55 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.048 0.539 . . . . 0.0 111.455 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.24 -35.93 78.6 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.756 -0.59 . . . . 0.0 109.891 -177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.59 -19.14 57.71 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.724 -0.487 . . . . 0.0 113.124 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.95 -17.95 54.59 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.401 1.1 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.036 -1.459 . . . . 0.0 109.164 169.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.043 -0.027 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.19 129.92 32.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 48.0 tp 67.34 -58.77 0.41 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.158 1.783 . . . . 0.0 111.778 -171.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -42.64 -43.87 4.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.155 1.782 . . . . 0.0 112.34 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -44.27 -32.02 1.17 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.703 1.601 . . . . 0.0 113.673 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 12.3 m -57.29 -30.39 64.67 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.475 0.71 . . . . 0.0 112.177 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 70.66 -34.06 0.28 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.303 1.841 . . . . 0.0 114.199 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -147.19 171.46 15.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.181 1.392 . . . . 0.0 109.192 -174.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.36 147.45 47.04 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.547 1.539 . . . . 0.0 107.704 171.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.07 59.58 0.96 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.925 0.89 . . . . 0.0 109.494 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.09 -36.57 51.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.092 0.957 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.02 -2.49 0.43 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.777 1.231 . . . . 0.0 114.052 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 43.6 p -115.33 -2.42 12.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 120.146 1.339 . . . . 0.0 113.321 174.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -47.99 -50.41 27.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.742 1.61 . . . . 0.0 112.695 -171.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -28.26 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.048 0.939 . . . . 0.0 112.219 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 34.2 mt -83.83 -32.94 25.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.472 0.578 . . . . 0.0 109.618 172.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -56.55 -33.56 66.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.123 0.969 . . . . 0.0 110.888 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -58.72 -38.38 78.2 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.96 -0.462 . . . . 0.0 111.722 171.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -69.42 -44.42 71.39 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.845 -1.159 . . . . 0.0 109.238 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -53.77 -43.07 68.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.932 0.396 . . . . 0.0 110.584 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -60.43 -51.88 67.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.472 0.709 . . . . 0.0 110.059 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.01 -35.56 73.46 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.68 0.392 . . . . 0.0 111.177 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.93 -24.17 66.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.632 -0.667 . . . . 0.0 110.99 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.78 -17.97 0.95 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.402 1.477 . . . . 0.0 113.958 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 60.9 tp -47.29 -46.71 25.2 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.377 1.588 . . . . 0.0 110.259 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.901 -1.523 . . . . 0.0 112.279 -177.453 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -54.87 -43.5 73.18 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.791 -0.568 . . . . 0.0 111.71 -172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.5 mt -55.14 -47.42 75.12 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.857 -0.527 . . . . 0.0 111.052 174.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -62.16 -40.73 96.95 Favored 'General case' 0 C--O 1.226 -0.184 0 O-C-N 121.858 -0.527 . . . . 0.0 110.604 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.18 -52.26 66.48 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.8 -56.43 12.15 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.926 0.89 . . . . 0.0 110.008 174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.1 t -52.9 -55.61 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.57 1.148 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -64.34 -33.27 61.62 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.093 0 O-C-N 121.275 -0.891 . . . . 0.0 110.541 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.9 86.53 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.111 0.869 . . . . 0.0 110.481 172.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.19 -52.36 63.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.534 0.606 . . . . 0.0 110.201 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.91 -50.85 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.17 -51.76 67.68 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.383 1.073 . . . . 0.0 111.322 -174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.01 -47.64 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -53.51 -51.59 62.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.569 175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -53.16 -48.05 68.27 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.018 1.327 . . . . 0.0 110.338 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.96 -49.0 60.92 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 119.45 -0.31 . . . . 0.0 111.614 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -74.14 -55.24 6.31 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.1 p -60.77 -26.27 67.12 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.157 -0.964 . . . . 0.0 111.795 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.67 -34.67 87.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -73.84 -53.14 10.89 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.047 0.924 . . . . 0.0 109.456 -175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -140.29 104.18 4.74 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.74 34.74 0.59 Allowed Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.89 1.233 . . . . 0.0 112.599 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 27.23 57.41 0.08 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 127.846 2.458 . . . . 0.0 113.963 175.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.1 mttt 66.0 3.12 2.49 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -129.81 -28.79 2.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.341 0.973 . . . . 0.0 112.665 -172.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -118.75 158.6 25.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.213 1.405 . . . . 0.0 110.335 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.1 mt -118.48 123.26 44.72 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 169.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -76.4 171.59 14.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 169.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -39.74 68.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.279 0.49 . . . . 0.0 111.505 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 p -57.44 -51.38 69.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.519 1.527 . . . . 0.0 110.963 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -67.03 -45.8 76.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.76 -52.62 63.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.804 1.642 . . . . 0.0 110.647 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -57.96 -53.72 55.09 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.741 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.88 -47.66 84.14 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -48.84 -54.38 15.47 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.509 1.124 . . . . 0.0 109.533 175.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.57 -52.97 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 119.34 0.973 . . . . 0.0 110.361 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -48.92 -51.96 27.22 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.407 0.683 . . . . 0.0 110.755 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -72.75 -49.82 28.53 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.049 1.34 . . . . 0.0 110.898 -174.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -84.5 -19.51 33.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.21 19.42 20.38 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.421 1.009 . . . . 0.0 112.383 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -57.58 -17.18 12.78 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.87 -7.94 21.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.655 1.182 . . . . 0.0 112.161 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.03 -28.78 6.15 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.251 1.82 . . . . 0.0 111.667 -172.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.52 160.16 40.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.002 1.321 . . . . 0.0 108.105 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -79.54 172.01 14.37 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.778 0.431 . . . . 0.0 109.855 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.92 155.4 13.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.057 0.543 . . . . 0.0 110.357 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.73 92.06 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 125.298 1.439 . . . . 0.0 107.998 -174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -99.19 -26.81 14.07 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 112.156 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.16 92.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.953 -0.467 . . . . 0.0 110.168 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -47.37 -37.11 10.6 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.012 1.325 . . . . 0.0 112.762 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -58.33 -41.48 84.68 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.451 -0.781 . . . . 0.0 110.676 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.0 t -75.54 -38.82 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.703 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.16 -45.05 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 119.903 1.229 . . . . 0.0 109.483 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.31 -45.17 88.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.75 -49.73 76.58 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.556 -0.715 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.18 -40.18 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.361 -0.837 . . . . 0.0 110.135 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 ptm -59.22 -50.65 73.18 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.683 174.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -52.67 -44.09 65.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.539 1.136 . . . . 0.0 110.144 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -55.61 -32.59 63.24 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.849 0.86 . . . . 0.0 111.237 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -102.93 2.13 34.73 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.731 0.696 . . . . 0.0 112.278 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -76.76 69.26 3.1 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 112.17 -169.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.8 p -50.03 -35.64 25.67 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.654 1.182 . . . . 0.0 111.153 172.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.64 -15.21 62.23 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.187 0.995 . . . . 0.0 111.062 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.23 29.22 36.62 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 118.47 0.577 . . . . 0.0 112.074 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 6.04 12.32 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.896 1.278 . . . . 0.0 110.301 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.19 -68.41 2.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 107.996 -2.041 . . . . 0.0 107.996 -169.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -54.86 124.72 17.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.255 1.022 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 m -95.98 130.93 42.84 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -171.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.96 165.09 25.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.555 0.342 . . . . 0.0 110.638 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -46.67 -43.57 17.8 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.48 0.312 . . . . 0.0 110.307 169.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.14 -41.8 68.82 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.264 0.554 . . . . 0.0 112.07 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.05 -37.53 46.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.769 -0.582 . . . . 0.0 110.106 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.2 -51.49 64.26 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 36.7 tpp -57.02 -42.55 80.59 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.73 1.212 . . . . 0.0 111.517 176.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.9 90.21 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.294 -0.879 . . . . 0.0 111.251 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -62.39 -48.42 79.8 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.46 -47.7 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.31 65.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.421 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.0 ptp -58.03 -46.75 84.8 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.224 0.92 . . . . 0.0 111.353 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.96 -53.07 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-O 121.672 0.749 . . . . 0.0 109.877 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 m -57.8 -45.01 86.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.0 0.92 . . . . 0.0 109.587 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -58.97 -51.3 70.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.839 0.456 . . . . 0.0 110.841 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.63 -44.91 69.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.671 0.388 . . . . 0.0 110.657 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 52.0 t -66.17 -56.4 11.55 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.383 174.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -40.51 -54.68 2.45 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 126.251 1.82 . . . . 0.0 111.302 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -40.84 -43.94 2.15 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.524 1.13 . . . . 0.0 112.284 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.73 10.95 17.98 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.356 0.662 . . . . 0.0 112.246 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.8 -36.56 84.7 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.07 71.36 3.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -67.71 80.48 0.19 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.252 1.021 . . . . 0.0 111.26 -169.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.409 1.483 . . . . 0.0 109.807 176.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -50.96 -49.22 60.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.745 1.218 . . . . 0.0 110.234 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 38.6 mt -55.14 -33.06 62.58 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 119.357 -0.354 . . . . 0.0 111.659 -177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.08 -39.48 69.32 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 118.472 0.578 . . . . 0.0 110.592 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -67.76 -49.11 64.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.58 -51.34 60.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.129 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.79 -55.62 21.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 124.452 1.101 . . . . 0.0 111.304 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -40.33 84.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.246 0 CA-C-N 119.085 0.857 . . . . 0.0 110.337 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -47.96 81.37 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.07 0.395 . . . . 0.0 110.982 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.35 -48.04 83.14 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.106 0.962 . . . . 0.0 111.004 -175.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 pt -66.05 -50.29 70.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.77 -49.82 73.48 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.504 0.593 . . . . 0.0 112.223 -169.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.72 -52.69 51.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -52.48 -52.28 55.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.291 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -55.91 -48.77 75.06 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.369 0.668 . . . . 0.0 110.818 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.23 -51.89 66.43 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 118.303 0.501 . . . . 0.0 109.874 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.9 -53.24 53.54 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.24 0.543 . . . . 0.0 109.626 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 35.3 t -53.27 -24.83 12.5 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.506 1.523 . . . . 0.0 112.481 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.61 -35.85 75.17 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 111.658 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -75.09 -53.4 8.94 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.262 1.031 . . . . 0.0 110.571 -170.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -134.11 104.57 6.27 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 169.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.15 -152.97 24.61 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 106.663 -2.575 . . . . 0.0 106.663 -169.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -143.21 39.08 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.408 0.683 . . . . 0.0 110.325 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 68.05 -28.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.836 1.254 . . . . 0.0 114.199 -174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -109.66 -6.51 15.31 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.075 1.35 . . . . 0.0 112.924 -176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -143.19 134.5 26.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.406 1.082 . . . . 0.0 110.519 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.37 120.67 34.96 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.646 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -74.56 159.03 32.71 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.654 1.116 . . . . 0.0 109.744 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -53.99 -38.55 65.18 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 123.242 0.617 . . . . 0.0 111.282 -174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -44.55 63.53 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.173 0.989 . . . . 0.0 110.061 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -79.6 -49.6 11.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.037 0.935 . . . . 0.0 110.119 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.2 -44.81 71.92 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 53' ' ' VAL . 46.5 tttp -53.9 -61.89 2.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.862 0.865 . . . . 0.0 110.21 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.62 -35.53 77.43 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -172.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.58 -54.19 49.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.602 0.761 . . . . 0.0 109.37 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.94 -56.21 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -49.11 -46.66 45.18 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 122.987 0.515 . . . . 0.0 111.959 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -85.41 -57.06 3.22 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.829 0.451 . . . . 0.0 110.694 -171.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -79.42 -28.24 41.73 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.8 -169.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.91 20.29 19.06 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.619 0.645 . . . . 0.0 110.288 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.2 p -57.44 -40.12 77.73 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.41 1.484 . . . . 0.0 113.306 -174.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -39.79 56.97 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -171.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.97 -67.79 0.54 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.833 0.853 . . . . 0.0 109.404 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.94 139.88 30.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.559 0.744 . . . . 0.0 110.397 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -56.63 149.93 16.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 161.29 3.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.741 0.246 . . . . 0.0 110.556 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.72 78.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 123.832 0.853 . . . . 0.0 110.35 -175.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -68.22 -28.02 66.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.491 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.35 82.62 0.77 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.818 0.847 . . . . 0.0 110.741 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -48.68 -35.95 15.03 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.396 1.079 . . . . 0.0 112.323 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -42.74 84.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.3 -0.875 . . . . 0.0 110.373 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 42.9 t -73.08 -40.79 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.495 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' B' ' 33' ' ' LYS . 2.2 m -58.18 -44.78 88.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 120.1 1.318 . . . . 0.0 109.855 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.02 -47.5 82.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.411 0.285 . . . . 0.0 110.559 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -60.02 -46.58 89.04 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.606 -0.684 . . . . 0.0 111.76 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.79 -43.41 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.694 0.679 . . . . 0.0 109.231 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -50.99 59.54 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 118.715 0.689 . . . . 0.0 110.513 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.21 -47.32 81.61 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.905 1.282 . . . . 0.0 110.152 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.5 m -55.87 -41.54 74.55 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.235 1.014 . . . . 0.0 109.891 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.5 -43.14 23.74 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.3 -0.25 . . . . 0.0 111.334 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.47 72.86 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.494 2.317 . . . . 0.0 114.494 -169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.3 p -41.96 -43.4 3.12 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.87 2.068 . . . . 0.0 112.255 170.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.4 -14.02 60.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.738 -171.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.08 37.76 73.12 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-N 118.888 0.767 . . . . 0.0 111.236 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -96.6 0.19 49.6 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.255 1.022 . . . . 0.0 109.601 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.65 -67.92 2.82 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 -169.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.79 122.68 12.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.921 0.888 . . . . 0.0 109.204 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 32.1 t -79.26 121.74 25.45 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.528 0.604 . . . . 0.0 110.416 -170.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.7 152.5 41.65 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.129 0.572 . . . . 0.0 111.388 -169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -49.75 -43.76 48.13 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -53.58 -41.84 66.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 121.417 0.627 . . . . 0.0 112.085 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.24 -38.95 50.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.372 0.669 . . . . 0.0 109.424 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.85 -47.76 79.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 169.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 91.1 mmm -60.5 -43.76 96.68 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.947 0.899 . . . . 0.0 111.243 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.9 -45.52 86.32 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.82 -0.55 . . . . 0.0 110.709 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.76 -51.99 67.4 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.918 0.487 . . . . 0.0 109.952 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.5 t -50.81 -45.3 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 123.914 0.885 . . . . 0.0 109.532 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.38 -54.17 50.03 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.361 0.528 . . . . 0.0 111.119 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -65.9 -41.32 91.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.75 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 5.8 mm -57.66 -51.81 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 109.862 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -59.99 -43.68 95.0 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.858 0.463 . . . . 0.0 110.042 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 m -57.0 -49.31 76.15 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.166 0.439 . . . . 0.0 109.968 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.8 89.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.989 -0.444 . . . . 0.0 110.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 43.9 t -58.4 -50.18 74.61 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.261 -0.275 . . . . 0.0 111.101 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.46 -48.82 65.62 Favored 'General case' 0 CA--C 1.527 0.07 0 C-N-CA 124.25 1.02 . . . . 0.0 110.716 176.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.66 -48.25 81.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -42.53 72.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 122.028 0.918 . . . . 0.0 109.616 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.34 -18.2 36.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.592 1.557 . . . . 0.0 112.648 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -49.84 -36.28 26.14 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.171 0.896 . . . . 0.0 109.808 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -123.44 72.41 1.12 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 168.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 116.67 -1.633 . . . . 0.0 111.593 176.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.407 0.146 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -57.97 -42.42 84.99 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.659 0.384 . . . . 0.0 111.06 -176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 73.9 mt 47.81 56.22 7.48 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.503 1.121 . . . . 0.0 111.767 171.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.85 -50.19 0.69 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.869 1.668 . . . . 0.0 113.289 174.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . 0.273 16.0 ptp180 -6.79 -69.09 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.845 2.858 . . . . 0.0 116.428 -169.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -41.19 95.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.485 1.114 . . . . 0.0 111.895 -174.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.47 71.8 2.43 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.776 1.23 . . . . 0.0 110.405 -175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.1 168.81 18.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.427 1.091 . . . . 0.0 108.733 170.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.28 104.15 14.86 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . 0.488 ' CD ' ' H ' ' C' ' 71' ' ' ARG . 0.0 OUTLIER -61.7 116.94 5.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 175.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -44.48 -43.49 7.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.236 1.014 . . . . 0.0 113.05 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -45.28 -38.03 5.25 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 8.6 m -50.71 -40.59 54.53 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.665 0.786 . . . . 0.0 110.498 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.27 -48.35 68.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.486 0.714 . . . . 0.0 110.543 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -75.13 -50.07 17.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 70.9 mt -58.48 -24.06 59.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.952 0.501 . . . . 0.0 111.433 -177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp-105 -44.93 -39.49 5.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.538 1.135 . . . . 0.0 111.148 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.2 -40.78 74.4 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.72 -0.612 . . . . 0.0 110.622 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.55 -51.89 67.62 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 171.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -52.25 -47.02 65.99 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.55 0.34 . . . . 0.0 110.478 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 81.7 m -60.52 -50.4 73.72 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.83 -34.97 75.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.298 -0.876 . . . . 0.0 110.924 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.59 5.45 3.86 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.53 60.26 0.27 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.868 -2.093 . . . . 0.0 107.868 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.85 -32.7 74.53 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -169.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.145 -1.407 . . . . 0.0 110.442 178.09 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . 0.632 ' N ' ' HG ' ' D' ' 67' ' ' SER . 45.5 mmtm . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -74.06 78.04 1.72 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.633 0.73 . . . . 0.0 109.095 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 84.7 mt 47.75 -109.35 0.28 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.563 1.545 . . . . 0.0 111.139 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -65.32 -17.07 64.22 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.973 0.909 . . . . 0.0 112.547 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -31.49 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.76 -0.587 . . . . 0.0 110.269 169.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . 0.632 ' HG ' ' N ' ' D' ' 62' ' ' LYS . 1.9 m -72.44 69.85 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.885 1.274 . . . . 0.0 112.294 -173.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.17 41.41 23.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.714 1.205 . . . . 0.0 113.939 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -84.32 -152.64 0.14 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 133.47 56.12 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.493 -1.379 . . . . 0.0 107.613 169.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -82.41 60.04 4.89 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.43 -49.62 7.09 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.878 1.671 . . . . 0.0 112.193 -172.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -48.87 -36.3 16.69 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.767 1.227 . . . . 0.0 112.738 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 44.5 p -94.91 -9.53 33.88 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -54.15 -43.08 70.28 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 119.188 0.904 . . . . 0.0 111.897 -169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.09 -25.73 59.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.647 0.779 . . . . 0.0 112.227 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.97 -8.23 43.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.924 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -49.38 -48.66 46.73 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.09 0.956 . . . . 0.0 111.72 -170.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -49.66 -40.98 41.68 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.46 -25.36 64.96 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.745 0.818 . . . . 0.0 111.302 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -86.28 -43.29 13.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 109.186 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.5 m -60.18 -31.79 70.46 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.935 0.894 . . . . 0.0 110.318 -177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -48.67 -35.99 15.05 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.279 1.031 . . . . 0.0 111.561 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 29.1 mt -64.64 -23.13 67.16 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.264 -0.898 . . . . 0.0 110.879 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -114.31 48.1 0.97 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 169.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.3 -21.01 63.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.791 0.796 . . . . 0.0 112.944 173.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.971 1.709 . . . . 0.0 111.442 -174.452 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 119.715 -0.183 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -44.78 -52.91 7.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.582 1.153 . . . . 0.0 112.634 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.417 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.94 -39.13 88.29 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.04 0.837 . . . . 0.0 110.035 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -60.37 -54.29 47.45 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -48.66 66.0 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.65 . . . . 0.0 111.13 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 t -56.09 -55.65 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.019 1.328 . . . . 0.0 110.951 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -63.82 -33.8 64.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 119.777 -0.769 . . . . 0.0 110.921 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.35 70.11 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.624 0.647 . . . . 0.0 110.909 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.96 -51.61 65.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.293 0.497 . . . . 0.0 110.338 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.3 -52.53 50.62 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 C-N-CA 122.902 0.481 . . . . 0.0 110.196 -178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.16 -52.47 62.28 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.8 t -55.05 -52.06 47.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -55.23 -48.62 73.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.911 177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -53.32 -47.98 68.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.62 0.368 . . . . 0.0 110.554 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -53.78 -49.88 67.3 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.273 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.26 -50.2 42.07 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.831 0.824 . . . . 0.0 111.808 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.7 t -61.38 -23.3 65.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.737 1.215 . . . . 0.0 112.717 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.17 -24.78 75.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 121.567 -0.708 . . . . 0.0 111.521 174.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -78.7 -53.96 6.6 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.031 0.915 . . . . 0.0 111.217 -169.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -138.86 105.36 5.31 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.06 -138.09 7.3 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 105.806 -2.918 . . . . 0.0 105.806 -171.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -161.44 60.2 0.27 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? 72.6 -31.81 0.23 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.992 1.317 . . . . 0.0 114.271 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -108.27 -3.24 18.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 114.208 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.22 141.71 30.04 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.056 0.844 . . . . 0.0 112.362 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.5 mt -107.91 135.9 48.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.535 1.134 . . . . 0.0 109.023 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -87.12 176.21 7.71 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -37.23 67.35 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 118.723 0.692 . . . . 0.0 112.675 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 p -58.29 -53.87 53.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.216 0.916 . . . . 0.0 110.148 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -67.89 -45.86 73.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.465 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.08 -41.63 98.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.081 0.952 . . . . 0.0 109.925 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.85 -58.91 6.31 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 121.303 -0.873 . . . . 0.0 110.328 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.9 -40.82 98.71 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.592 -175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -49.02 -55.5 11.81 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.009 1.324 . . . . 0.0 108.821 171.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.56 -52.88 54.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 119.049 0.841 . . . . 0.0 110.229 -177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -55.45 -48.0 75.17 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.255 0.479 . . . . 0.0 111.573 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -72.88 -50.09 25.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.129 -0.357 . . . . 0.0 110.38 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -79.9 -45.13 19.15 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.816 -0.612 . . . . 0.0 111.235 -170.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mp -89.37 46.01 1.34 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.959 1.254 . . . . 0.0 109.022 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -57.18 -46.69 82.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.748 1.619 . . . . 0.0 111.155 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.18 -39.83 11.9 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.654 0.782 . . . . 0.0 109.42 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -64.1 -34.71 78.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.885 -169.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 tp -132.78 167.21 20.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.252 1.021 . . . . 0.0 109.519 -179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.75 153.16 24.29 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -50.87 134.38 25.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.071 1.348 . . . . 0.0 109.364 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -75.87 -67.11 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 123.044 0.538 . . . . 0.0 112.186 -169.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 66.0 -58.51 0.33 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.411 1.484 . . . . 0.0 112.56 -169.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -70.21 84.44 0.55 Allowed 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 121.512 -0.742 . . . . 0.0 110.708 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -47.8 -34.49 8.68 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.027 0.531 . . . . 0.0 111.577 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -57.74 -44.99 86.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.41 1.084 . . . . 0.0 110.44 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.7 t -74.08 -44.11 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 O-C-N 121.986 -0.446 . . . . 0.0 110.089 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.46 -45.84 85.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.196 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.34 -48.17 71.7 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 174.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.46 -51.49 69.26 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 122.087 -0.383 . . . . 0.0 111.534 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 m -63.99 -45.5 96.59 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 119.134 0.879 . . . . 0.0 109.915 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.2 ptm -63.25 -43.25 98.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 119.548 -0.861 . . . . 0.0 110.105 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -53.63 -44.14 69.31 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.213 0.605 . . . . 0.0 110.046 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.93 -28.77 58.39 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.268 0.627 . . . . 0.0 111.643 176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -102.18 3.43 38.4 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 123.884 0.874 . . . . 0.0 112.299 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.0 72.15 4.51 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.968 0.804 . . . . 0.0 110.072 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.35 -22.58 63.44 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.204 -0.31 . . . . 0.0 111.423 174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.01 -16.09 61.51 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.873 0.469 . . . . 0.0 111.195 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 48.37 33.01 10.66 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.875 1.226 . . . . 0.0 112.657 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.6 14.01 12.62 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.78 0.832 . . . . 0.0 111.114 -171.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 -56.93 4.11 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -59.49 158.77 9.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 169.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 m -118.64 127.64 53.78 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 172.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -73.14 163.63 27.86 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.755 0.822 . . . . 0.0 109.973 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -46.97 -43.02 18.86 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.328 1.051 . . . . 0.0 111.693 174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -51.37 -51.37 55.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.939 0.496 . . . . 0.0 111.992 172.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.86 -39.56 79.81 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.296 0.569 . . . . 0.0 109.888 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -52.81 -52.73 55.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 mtp -61.21 -34.05 74.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.28 94.58 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.654 0.661 . . . . 0.0 111.15 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -60.19 -51.72 68.38 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.49 -45.2 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-O 119.078 -0.486 . . . . 0.0 109.875 175.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.27 70.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.471 1.032 . . . . 0.0 111.731 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.2 ptp -58.58 -47.8 83.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.511 0.596 . . . . 0.0 110.804 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.46 -54.04 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.53 0.681 . . . . 0.0 109.68 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -55.89 -47.56 77.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.883 1.273 . . . . 0.0 109.596 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.6 m -60.0 -47.66 84.91 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.941 -0.474 . . . . 0.0 110.214 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.15 82.38 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 121.994 -0.441 . . . . 0.0 110.222 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 53.7 t -56.77 -44.91 82.28 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.761 -0.587 . . . . 0.0 110.717 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -41.51 55.61 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.676 0.79 . . . . 0.0 110.688 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -53.15 -43.34 66.95 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.038 0.381 . . . . 0.0 111.631 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.94 84.6 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -58.72 -35.3 72.47 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 -175.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -70.33 -57.68 4.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.279 0.632 . . . . 0.0 109.961 169.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -78.04 71.08 4.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.402 0.681 . . . . 0.0 110.023 -171.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.093 -1.432 . . . . 0.0 109.531 171.635 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.878 0.37 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.28 -53.67 41.05 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.999 0.92 . . . . 0.0 111.584 -171.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 35.9 mt -59.0 -41.31 87.35 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.607 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -61.29 -42.88 99.4 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 0.0 110.493 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -63.03 -51.14 67.91 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.35 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 -48.54 61.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.25 0.548 . . . . 0.0 110.496 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 t -58.62 -55.22 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.448 1.099 . . . . 0.0 111.567 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.64 -35.24 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 120.059 1.299 . . . . 0.0 110.721 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.71 68.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.698 0.681 . . . . 0.0 110.859 172.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.95 -49.77 72.61 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.551 1.14 . . . . 0.0 110.53 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.33 -53.11 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.516 0.727 . . . . 0.0 109.815 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.67 -51.01 66.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.804 0.441 . . . . 0.0 111.719 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 52.9 t -54.64 -52.1 44.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -55.44 -52.13 64.64 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.391 176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -53.21 -48.73 67.89 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.333 1.053 . . . . 0.0 109.607 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -43.19 64.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.022 1.329 . . . . 0.0 112.129 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -73.58 -56.39 5.08 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.275 0.943 . . . . 0.0 111.972 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 37.9 p -60.03 -24.96 64.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.056 1.342 . . . . 0.0 113.614 -172.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.63 -31.14 66.63 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 mtm-85 -77.74 -51.88 9.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.094 0.447 . . . . 0.0 110.918 -171.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.76 103.27 4.32 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.0 46.84 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.566 1.555 . . . . 0.0 111.818 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 t0 26.64 54.97 0.05 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.655 2.382 . . . . 0.0 114.011 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 pttt 49.49 24.72 1.18 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -149.02 -4.14 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -137.46 162.59 33.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 109.831 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.52 107.82 14.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.337 1.055 . . . . 0.0 109.69 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -66.48 157.49 31.99 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 169.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -56.55 -30.85 63.58 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.906 1.23 . . . . 0.0 113.804 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -55.7 -51.07 68.56 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.863 0.756 . . . . 0.0 110.251 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -67.55 -47.83 68.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.783 0.833 . . . . 0.0 109.267 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -46.7 75.9 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.989 0.916 . . . . 0.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -57.86 -62.2 1.98 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 123.301 0.64 . . . . 0.0 109.968 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.26 -40.39 93.91 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.637 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.02 -55.95 12.67 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.402 1.481 . . . . 0.0 109.848 173.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' B' ' 47' ' ' ILE . 72.3 mt -63.7 -51.81 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.95 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -55.93 -44.78 78.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.738 0.245 . . . . 0.0 111.363 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.47 -44.5 24.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.041 0.537 . . . . 0.0 111.478 -176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.35 -41.72 15.23 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.27 15.61 25.59 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.072 0.949 . . . . 0.0 112.966 -169.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -42.65 -42.44 3.46 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -85.98 -26.95 25.18 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.559 0.744 . . . . 0.0 111.051 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -79.76 -35.62 38.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.434 0.694 . . . . 0.0 109.739 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tt -147.5 124.41 11.3 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.381 1.873 . . . . 0.0 107.415 -169.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -70.87 167.65 18.51 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 111.718 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -50.42 116.56 1.95 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.25 1.02 . . . . 0.0 110.467 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' B' ' 36' ' ' ILE . 36.5 mt -66.75 -45.85 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.286 -172.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . 0.263 22.1 pttm 55.07 -62.27 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.224 2.61 . . . . 0.0 114.254 -173.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -64.44 102.54 0.55 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.421 1.089 . . . . 0.0 110.583 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -46.34 -32.47 3.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.235 1.014 . . . . 0.0 111.278 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.36 -47.61 81.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.137 0.975 . . . . 0.0 111.18 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 96.8 t -69.48 -46.51 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -59.16 -41.47 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.299 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -54.79 -44.22 73.54 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.362 0.983 . . . . 0.0 110.531 172.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.62 -46.13 91.43 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.636 -0.665 . . . . 0.0 111.767 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . 0.253 1.6 m -61.92 -44.97 99.64 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 119.96 1.255 . . . . 0.0 109.36 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttm -49.8 -52.97 28.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.704 -0.622 . . . . 0.0 110.203 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -53.32 -47.1 69.56 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.033 0.444 . . . . 0.0 110.161 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 25.8 m -57.62 -41.66 81.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.899 0.879 . . . . 0.0 112.083 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 47.6 mt -85.41 -30.91 23.19 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.482 1.037 . . . . 0.0 112.739 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.89 66.16 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.841 2.057 . . . . 0.0 113.839 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -63.79 -34.15 77.26 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.092 1.357 . . . . 0.0 110.589 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -74.97 -11.32 60.09 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.7 1.2 . . . . 0.0 111.875 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.65 40.16 96.11 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 118.894 0.77 . . . . 0.0 111.821 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.89 8.22 15.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.82 1.248 . . . . 0.0 110.118 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.73 -74.06 0.78 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 108.824 -1.711 . . . . 0.0 108.824 -169.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -55.36 126.74 26.33 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.125 1.37 . . . . 0.0 110.814 -170.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -75.9 103.39 5.95 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.13 157.17 19.76 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.862 1.265 . . . . 0.0 110.864 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -49.91 -40.52 43.4 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-O 119.29 -0.386 . . . . 0.0 111.704 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -55.89 -48.12 76.18 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 122.011 0.91 . . . . 0.0 111.906 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.79 -46.48 81.9 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.499 1.52 . . . . 0.0 108.876 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -52.85 -51.61 60.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.898 -1.501 . . . . 0.0 110.401 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 74.6 mmm -56.97 -41.61 78.66 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 119.209 0.913 . . . . 0.0 111.181 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.24 -45.04 95.09 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.892 0.377 . . . . 0.0 111.249 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.81 -52.54 65.03 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.717 0.77 . . . . 0.0 109.946 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 50.8 t -51.6 -45.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 C-N-CA 123.931 0.892 . . . . 0.0 108.872 174.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.49 65.3 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.945 0.793 . . . . 0.0 111.703 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.5 ptp -58.87 -47.22 85.67 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.122 0.874 . . . . 0.0 111.226 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.91 -55.93 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.724 0.773 . . . . 0.0 109.204 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.4 m -55.51 -43.15 75.41 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.558 1.143 . . . . 0.0 109.776 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 97.0 m -63.41 -45.94 88.67 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.956 0.798 . . . . 0.0 110.87 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.18 -45.75 79.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.694 0.679 . . . . 0.0 110.472 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 53.6 t -63.84 -41.28 97.87 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.801 -0.562 . . . . 0.0 112.028 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -57.51 -45.44 84.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.998 1.319 . . . . 0.0 109.971 177.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.21 -48.12 82.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -54.55 -31.04 55.83 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.819 -0.551 . . . . 0.0 112.093 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -58.42 -20.26 43.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.758 0.823 . . . . 0.0 112.921 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.71 -35.05 13.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.868 0.758 . . . . 0.0 110.255 169.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -122.39 69.72 0.97 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 116.723 -1.608 . . . . 0.0 111.766 175.459 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.788 -0.078 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mmt-85 -129.67 47.57 2.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.06 0.944 . . . . 0.0 109.121 172.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.86 80.4 3.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.84 0.456 . . . . 0.0 110.409 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 78.42 -59.86 0.41 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.607 1.563 . . . . 0.0 110.828 169.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -48.71 -25.91 2.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.46 2.304 . . . . 0.0 114.545 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -58.58 75.25 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.937 1.695 . . . . 0.0 113.732 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.68 -115.11 0.56 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -123.41 26.8 7.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.149 0.58 . . . . 0.0 110.905 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.49 -40.92 89.55 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 53.94 39.91 31.0 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.625 1.17 . . . . 0.0 110.486 169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.82 -42.53 5.69 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 126.396 1.878 . . . . 0.0 113.721 -169.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -50.25 -37.59 36.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' THR . . . . . . . . . . . . . 54.5 p -77.72 -13.59 59.86 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.511 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -48.27 -46.26 35.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.533 1.133 . . . . 0.0 111.323 -172.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -54.88 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.926 0.89 . . . . 0.0 109.226 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.66 -34.22 64.79 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.522 1.129 . . . . 0.0 111.424 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' ARG . . . . . . . . . . . . . 42.6 ttp-105 -47.28 -45.21 23.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.716 0.806 . . . . 0.0 110.73 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.15 -39.86 95.89 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.618 0.645 . . . . 0.0 110.151 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -53.57 47.37 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -54.61 -40.93 69.37 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.816 -0.553 . . . . 0.0 111.455 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -60.5 -24.11 65.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.714 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmt-85 -50.87 -31.02 16.11 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.298 1.408 . . . . 0.0 113.053 -177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.91 -37.47 87.53 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.187 0.449 . . . . 0.0 111.361 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.91 -19.37 11.97 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.659 1.123 . . . . 0.0 112.869 -172.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 50.0 tp -39.36 -46.12 1.56 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 127.4 2.28 . . . . 0.0 111.45 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--O 1.254 1.301 0 CA-C-O 116.763 -1.589 . . . . 0.0 107.316 168.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.615 0.245 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp85 -167.77 170.36 10.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt 62.78 -175.9 0.14 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.224 1.01 . . . . 0.0 110.868 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 69.44 -60.69 0.46 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.605 1.962 . . . . 0.0 110.053 -170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 63.39 -73.13 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.458 2.303 . . . . 0.0 112.009 170.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' SER . . . . . . . . . . . . . 34.4 p -41.23 -65.31 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.13 2.172 . . . . 0.0 111.674 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.51 76.5 0.27 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.163 0.985 . . . . 0.0 109.372 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -74.95 54.13 0.63 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.282 1.433 . . . . 0.0 112.209 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.02 -33.74 73.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 109.146 169.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.14 66.39 0.16 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.012 1.725 . . . . 0.0 107.645 169.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -54.34 -40.51 68.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -169.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -44.92 -47.72 11.27 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.851 0.751 . . . . 0.0 111.153 170.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' THR . . . . . . . . . . . . . 3.6 m -72.09 -22.71 61.31 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.514 1.126 . . . . 0.0 112.085 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -47.94 -43.52 29.3 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.128 0.971 . . . . 0.0 110.799 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -83.12 -55.17 4.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.4 1.08 . . . . 0.0 109.908 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.87 -31.16 68.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.117 0.967 . . . . 0.0 110.702 -173.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 78' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -45.56 -46.98 14.49 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.907 1.283 . . . . 0.0 111.173 169.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.42 -49.25 69.89 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 119.003 0.82 . . . . 0.0 110.41 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -52.28 -51.77 56.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -57.67 -44.91 86.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.494 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 91.2 m -60.6 -46.84 88.73 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.648 0.658 . . . . 0.0 109.999 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' ARG . . . . . . . . . . . . . 64.0 mtt85 -65.14 -37.59 87.92 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.925 -0.484 . . . . 0.0 111.277 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 49.9 tp -65.35 -38.09 89.04 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.174 0.512 . . . . 0.0 110.311 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.44 -19.7 34.61 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 126.051 1.786 . . . . 0.0 113.592 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.99 -30.95 66.47 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.37 1.085 . . . . 0.0 111.298 173.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.04 -1.457 . . . . 0.0 110.071 175.093 . . . . . . . . 0 0 . 1 stop_ save_