data_2hz8_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 2hz8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -111.8 26.94 10.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.777 1.631 . . . . 0.0 114.37 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -53.33 -28.77 30.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.493 1.517 . . . . 0.0 113.904 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -54.92 -20.18 8.34 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.07 -24.31 60.66 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.086 1.354 . . . . 0.0 113.737 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.692 1.197 . . . . 0.0 111.994 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.45 -32.71 72.93 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.217 -0.927 . . . . 0.0 112.095 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.81 -46.53 74.52 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.485 1.039 . . . . 0.0 112.287 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.053 0.941 . . . . 0.0 111.496 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.29 98.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.43 -42.8 82.6 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.48 1.036 . . . . 1.0 113.162 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.32 -43.37 92.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.476 0.71 . . . . 0.0 111.814 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -63.47 -40.86 98.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 112.521 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.16 94.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.726 0.81 . . . . 0.0 112.02 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.7 -47.52 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.933 0.893 . . . . 0.0 110.728 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.3 -29.95 71.01 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.71 -39.45 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 120.672 1.578 . . . . 0.0 112.14 172.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.94 -35.05 74.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.732 1.151 . . . . 0.0 112.715 172.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.52 -37.28 75.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.814 1.245 . . . . 0.0 113.869 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.6 -49.45 21.61 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.097 0.959 . . . . 0.0 111.325 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.44 -35.32 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.308 0.643 . . . . 0.0 112.127 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -58.36 -45.53 88.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.206 0.912 . . . . 0.0 112.14 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.26 -42.49 98.71 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.393 -0.817 . . . . 0.0 111.921 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -66.51 -39.43 88.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.064 0.946 . . . . 0.0 112.819 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.86 88.9 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.659 1.184 . . . . 0.0 112.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.48 -30.67 53.21 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -23.39 65.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.852 1.261 . . . . 0.0 112.674 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.67 26.1 72.94 Favored Glycine 0 C--O 1.215 -1.046 0 C-N-CA 124.873 1.225 . . . . 0.0 113.791 -172.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -80.08 58.58 3.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.882 1.673 . . . . 0.0 111.48 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.18 -13.46 18.11 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -80.93 -18.93 45.44 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 125.023 1.329 . . . . 0.0 113.092 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.36 -43.73 20.63 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.498 1.045 . . . . 0.0 110.573 161.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.27 -38.48 73.97 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.372 -0.83 . . . . 0.0 112.844 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 -8.38 2.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -133.91 17.17 3.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 126.344 1.858 . . . . 0.0 113.074 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 tp -137.97 -28.84 0.86 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.07 -31.98 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 120.23 1.377 . . . . 0.0 111.193 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.43 -28.57 3.34 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 168.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -83.2 -34.54 25.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.915 0.886 . . . . 0.0 112.678 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 pt -77.02 -32.33 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 119.136 0.88 . . . . 0.0 112.121 169.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.14 -46.47 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.019 0.827 . . . . 0.0 110.203 165.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.87 -34.13 76.73 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.171 -0.919 . . . . 0.0 113.25 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.6 98.4 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.999 1.272 . . . . 0.0 112.588 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -73.01 -42.83 62.82 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.86 -42.38 93.54 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 112.981 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.95 -43.87 94.52 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 124.398 1.079 . . . . 0.0 111.225 170.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.63 69.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.826 1.194 . . . . 0.0 112.377 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.01 -26.93 37.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 119.549 1.068 . . . . 0.0 113.758 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -80.62 -51.6 8.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.391 0.996 . . . . 0.0 112.548 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.67 -41.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.635 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -64.16 -37.76 88.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.253 1.388 . . . . 0.0 112.425 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -66.16 -40.11 90.31 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.521 1.055 . . . . 0.0 112.533 174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.87 -38.89 80.02 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 111.667 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.652 1.181 . . . . 0.0 113.252 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.68 76.04 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 119.089 0.859 . . . . 0.0 112.739 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -73.97 -30.84 62.71 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.793 -1.192 . . . . 0.0 112.428 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.79 -3.89 57.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.913 1.685 . . . . 0.0 114.299 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 133.98 52.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 124.289 1.035 . . . . 0.0 112.46 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -143.46 7.48 1.52 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.901 1.68 . . . . 0.0 113.398 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -141.34 119.35 7.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 110.575 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.78 -35.68 70.32 Favored 'Trans proline' 0 C--O 1.211 -0.826 0 C-N-CA 123.992 3.128 . . . . 0.0 116.169 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -77.52 -39.51 45.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.828 1.194 . . . . 0.0 112.782 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -73.33 -5.73 41.55 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.605 -1.31 . . . . 0.0 113.873 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -100.76 -7.02 24.14 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 126.999 2.12 . . . . 0.0 113.411 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.51 -11.83 38.09 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 m -133.71 -8.37 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mm -49.07 -56.81 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 120.827 1.649 . . . . 0.0 111.966 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.84 -29.51 68.67 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.26 -44.07 63.38 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 125.023 1.329 . . . . 0.0 111.679 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.91 -44.88 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 123.641 0.776 . . . . 0.0 110.457 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 tp -54.67 -38.75 67.32 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.391 1.076 . . . . 0.0 112.87 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.15 -25.59 68.15 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.645 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -79.35 -39.92 31.48 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.534 -1.354 . . . . 0.0 112.557 168.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -38.78 87.21 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.054 -1.029 . . . . 1.0 112.421 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.95 -20.35 63.73 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 124.585 1.154 . . . . 0.0 113.86 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -84.0 -51.54 7.04 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.02 -1.05 . . . . 0.0 111.255 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -58.41 -39.48 79.85 Favored 'General case' 0 N--CA 1.379 -3.999 0 N-CA-C 118.025 2.602 . . . . 1.0 118.025 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.78 -24.46 35.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -88.53 -33.73 17.65 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.064 1.346 . . . . 0.0 112.494 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.65 -42.18 98.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.937 0.79 . . . . 0.0 111.5 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.07 -32.3 71.94 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.015 0.926 . . . . 0.0 113.129 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -66.53 -51.85 52.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.562 1.073 . . . . 0.0 110.879 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.34 -48.86 77.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.916 0.887 . . . . 0.0 112.225 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.49 57.28 Favored 'General case' 0 C--O 1.205 -1.251 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -101.14 -4.23 27.68 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 126.0 1.72 . . . . 0.0 114.786 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -135.26 -8.54 2.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.88 -14.27 59.09 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.81 23.11 62.6 Favored Glycine 0 C--O 1.218 -0.85 0 C-N-CA 125.451 1.5 . . . . 0.0 114.283 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -154.2 144.12 21.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.327 1.451 . . . . 0.0 111.383 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.13 25.26 2.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.516 1.526 . . . . 0.0 113.176 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.23 -38.06 38.54 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.437 1.495 . . . . 0.0 114.111 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -128.72 20.44 6.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.212 1.805 . . . . 0.0 112.298 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.75 -45.13 86.28 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.322 1.449 . . . . 0.0 114.06 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.57 64.99 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 m -64.63 -41.65 96.02 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 123.23 0.612 . . . . 0.0 111.879 175.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.5 tp -69.29 -41.0 77.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.432 1.093 . . . . 0.0 112.216 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.63 -46.61 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -68.92 -35.88 77.33 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.98 -33.0 74.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.238 1.015 . . . . 0.0 112.838 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.9 mt -78.91 -43.47 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 tt -50.02 -50.29 47.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.751 1.22 . . . . 0.0 111.483 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.96 -21.13 64.55 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 125.576 1.55 . . . . 0.0 114.358 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -86.09 -37.4 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 120.67 -1.269 . . . . 0.0 112.289 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.84 -38.96 92.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.198 0.599 . . . . 1.0 111.705 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -60.23 -8.89 2.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -104.91 -36.29 7.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.355 1.434 . . . . 0.0 112.428 167.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -54.16 -38.48 65.58 Favored 'General case' 0 N--CA 1.379 -4.0 0 N-CA-C 117.23 2.307 . . . . 1.0 117.23 170.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.65 -20.25 24.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 C-N-CA 124.536 1.134 . . . . 0.0 113.804 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -94.48 -39.99 10.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.0 111.339 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.36 -45.19 88.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.147 0.979 . . . . 0.0 112.402 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.04 -26.02 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.139 -0.976 . . . . 0.0 112.808 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -81.16 -22.57 38.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.532 1.933 . . . . 0.0 113.541 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.95 -35.75 35.09 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.542 1.937 . . . . 0.0 115.474 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -128.26 25.32 5.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.922 2.089 . . . . 0.0 113.161 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.532 2.733 . . . . 0.0 115.751 -179.822 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -111.8 26.94 10.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.777 1.631 . . . . 0.0 114.37 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -53.33 -28.77 30.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.493 1.517 . . . . 0.0 113.904 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -54.92 -20.18 8.34 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.07 -24.31 60.66 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.086 1.354 . . . . 0.0 113.737 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.692 1.197 . . . . 0.0 111.994 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.45 -32.71 72.93 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.217 -0.927 . . . . 0.0 112.095 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.81 -46.53 74.52 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.485 1.039 . . . . 0.0 112.287 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.053 0.941 . . . . 0.0 111.496 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.29 98.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.43 -42.8 82.6 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.48 1.036 . . . . 1.0 113.162 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.32 -43.37 92.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.476 0.71 . . . . 0.0 111.814 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -63.47 -40.86 98.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 112.521 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.16 94.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.726 0.81 . . . . 0.0 112.02 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.7 -47.52 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.933 0.893 . . . . 0.0 110.728 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.3 -29.95 71.01 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.71 -39.45 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 120.672 1.578 . . . . 0.0 112.14 172.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.94 -35.05 74.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.732 1.151 . . . . 0.0 112.715 172.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.52 -37.28 75.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.814 1.245 . . . . 0.0 113.869 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.6 -49.45 21.61 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.097 0.959 . . . . 0.0 111.325 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.44 -35.32 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.308 0.643 . . . . 0.0 112.127 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -58.36 -45.53 88.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.206 0.912 . . . . 0.0 112.14 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.26 -42.49 98.71 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.393 -0.817 . . . . 0.0 111.921 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -66.51 -39.43 88.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.064 0.946 . . . . 0.0 112.819 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.86 88.9 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.659 1.184 . . . . 0.0 112.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.48 -30.67 53.21 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -23.39 65.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.852 1.261 . . . . 0.0 112.674 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.67 26.1 72.94 Favored Glycine 0 C--O 1.215 -1.046 0 C-N-CA 124.873 1.225 . . . . 0.0 113.791 -172.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -80.08 58.58 3.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.882 1.673 . . . . 0.0 111.48 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.18 -13.46 18.11 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -80.93 -18.93 45.44 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 125.023 1.329 . . . . 0.0 113.092 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.36 -43.73 20.63 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.498 1.045 . . . . 0.0 110.573 161.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.27 -38.48 73.97 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.372 -0.83 . . . . 0.0 112.844 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 -8.38 2.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -133.91 17.17 3.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 126.344 1.858 . . . . 0.0 113.074 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 tp -137.97 -28.84 0.86 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.07 -31.98 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 120.23 1.377 . . . . 0.0 111.193 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.43 -28.57 3.34 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 168.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -83.2 -34.54 25.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.915 0.886 . . . . 0.0 112.678 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 pt -77.02 -32.33 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 119.136 0.88 . . . . 0.0 112.121 169.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.14 -46.47 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.019 0.827 . . . . 0.0 110.203 165.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.87 -34.13 76.73 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.171 -0.919 . . . . 0.0 113.25 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.6 98.4 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.999 1.272 . . . . 0.0 112.588 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -73.01 -42.83 62.82 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.86 -42.38 93.54 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 112.981 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.95 -43.87 94.52 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 124.398 1.079 . . . . 0.0 111.225 170.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.63 69.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.826 1.194 . . . . 0.0 112.377 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.01 -26.93 37.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 119.549 1.068 . . . . 0.0 113.758 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -80.62 -51.6 8.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.391 0.996 . . . . 0.0 112.548 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.67 -41.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.635 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -64.16 -37.76 88.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.253 1.388 . . . . 0.0 112.425 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -66.16 -40.11 90.31 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.521 1.055 . . . . 0.0 112.533 174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.87 -38.89 80.02 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 111.667 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.652 1.181 . . . . 0.0 113.252 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.68 76.04 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 119.089 0.859 . . . . 0.0 112.739 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -73.97 -30.84 62.71 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.793 -1.192 . . . . 0.0 112.428 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.79 -3.89 57.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.913 1.685 . . . . 0.0 114.299 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 133.98 52.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 124.289 1.035 . . . . 0.0 112.46 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -143.46 7.48 1.52 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.901 1.68 . . . . 0.0 113.398 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -141.34 119.35 7.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 110.575 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.78 -35.68 70.32 Favored 'Trans proline' 0 C--O 1.211 -0.826 0 C-N-CA 123.992 3.128 . . . . 0.0 116.169 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -77.52 -39.51 45.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.828 1.194 . . . . 0.0 112.782 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -73.33 -5.73 41.55 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.605 -1.31 . . . . 0.0 113.873 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -100.76 -7.02 24.14 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 126.999 2.12 . . . . 0.0 113.411 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.51 -11.83 38.09 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 m -133.71 -8.37 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mm -49.07 -56.81 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 120.827 1.649 . . . . 0.0 111.966 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.84 -29.51 68.67 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.26 -44.07 63.38 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 125.023 1.329 . . . . 0.0 111.679 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.91 -44.88 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 123.641 0.776 . . . . 0.0 110.457 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 tp -54.67 -38.75 67.32 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.391 1.076 . . . . 0.0 112.87 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.15 -25.59 68.15 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.645 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -79.35 -39.92 31.48 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.534 -1.354 . . . . 0.0 112.557 168.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -38.78 87.21 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.054 -1.029 . . . . 1.0 112.421 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.95 -20.35 63.73 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 124.585 1.154 . . . . 0.0 113.86 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -84.0 -51.54 7.04 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.02 -1.05 . . . . 0.0 111.255 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -58.41 -39.48 79.85 Favored 'General case' 0 N--CA 1.379 -3.999 0 N-CA-C 118.025 2.602 . . . . 1.0 118.025 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.78 -24.46 35.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -88.53 -33.73 17.65 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.064 1.346 . . . . 0.0 112.494 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.65 -42.18 98.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.937 0.79 . . . . 0.0 111.5 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.07 -32.3 71.94 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.015 0.926 . . . . 0.0 113.129 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -66.53 -51.85 52.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.562 1.073 . . . . 0.0 110.879 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.34 -48.86 77.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.916 0.887 . . . . 0.0 112.225 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.49 57.28 Favored 'General case' 0 C--O 1.205 -1.251 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -101.14 -4.23 27.68 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 126.0 1.72 . . . . 0.0 114.786 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -135.26 -8.54 2.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.88 -14.27 59.09 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.81 23.11 62.6 Favored Glycine 0 C--O 1.218 -0.85 0 C-N-CA 125.451 1.5 . . . . 0.0 114.283 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -154.2 144.12 21.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.327 1.451 . . . . 0.0 111.383 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.13 25.26 2.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.516 1.526 . . . . 0.0 113.176 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.23 -38.06 38.54 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.437 1.495 . . . . 0.0 114.111 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -128.72 20.44 6.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.212 1.805 . . . . 0.0 112.298 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.75 -45.13 86.28 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.322 1.449 . . . . 0.0 114.06 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.57 64.99 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 m -64.63 -41.65 96.02 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 123.23 0.612 . . . . 0.0 111.879 175.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.5 tp -69.29 -41.0 77.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.432 1.093 . . . . 0.0 112.216 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.63 -46.61 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -68.92 -35.88 77.33 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.98 -33.0 74.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.238 1.015 . . . . 0.0 112.838 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.9 mt -78.91 -43.47 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 tt -50.02 -50.29 47.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.751 1.22 . . . . 0.0 111.483 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.96 -21.13 64.55 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 125.576 1.55 . . . . 0.0 114.358 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -86.09 -37.4 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 120.67 -1.269 . . . . 0.0 112.289 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.84 -38.96 92.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.198 0.599 . . . . 1.0 111.705 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -60.23 -8.89 2.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -104.91 -36.29 7.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.355 1.434 . . . . 0.0 112.428 167.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -54.16 -38.48 65.58 Favored 'General case' 0 N--CA 1.379 -4.0 0 N-CA-C 117.23 2.307 . . . . 1.0 117.23 170.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.65 -20.25 24.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 C-N-CA 124.536 1.134 . . . . 0.0 113.804 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -94.48 -39.99 10.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.0 111.339 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.36 -45.19 88.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.147 0.979 . . . . 0.0 112.402 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.04 -26.02 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.139 -0.976 . . . . 0.0 112.808 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -81.16 -22.57 38.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.532 1.933 . . . . 0.0 113.541 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.95 -35.75 35.09 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.542 1.937 . . . . 0.0 115.474 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -128.26 25.32 5.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.922 2.089 . . . . 0.0 113.161 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.532 2.733 . . . . 0.0 115.751 -179.822 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -111.8 26.94 10.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.777 1.631 . . . . 0.0 114.37 -173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -53.33 -28.77 30.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.493 1.517 . . . . 0.0 113.904 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -54.92 -20.18 8.34 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.07 -24.31 60.66 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.086 1.354 . . . . 0.0 113.737 173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -97.95 -25.24 15.06 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.692 1.197 . . . . 0.0 111.994 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.3 mt -68.45 -32.71 72.93 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 121.217 -0.927 . . . . 0.0 112.095 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.1 tp -54.81 -46.53 74.52 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.485 1.039 . . . . 0.0 112.287 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.053 0.941 . . . . 0.0 111.496 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.29 98.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -67.43 -42.8 82.6 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.48 1.036 . . . . 1.0 113.162 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.32 -43.37 92.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.476 0.71 . . . . 0.0 111.814 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -63.47 -40.86 98.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.268 1.027 . . . . 0.0 112.521 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.93 -45.16 94.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.726 0.81 . . . . 0.0 112.02 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.7 -47.52 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.933 0.893 . . . . 0.0 110.728 174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.3 -29.95 71.01 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.9 tp -82.71 -39.45 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 120.672 1.578 . . . . 0.0 112.14 172.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -59.94 -35.05 74.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.732 1.151 . . . . 0.0 112.715 172.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -58.52 -37.28 75.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.814 1.245 . . . . 0.0 113.869 171.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.6 -49.45 21.61 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.097 0.959 . . . . 0.0 111.325 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.44 -35.32 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.308 0.643 . . . . 0.0 112.127 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -58.36 -45.53 88.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.206 0.912 . . . . 0.0 112.14 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.26 -42.49 98.71 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.393 -0.817 . . . . 0.0 111.921 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -66.51 -39.43 88.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.064 0.946 . . . . 0.0 112.819 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.86 88.9 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.659 1.184 . . . . 0.0 112.59 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.48 -30.67 53.21 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -23.39 65.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.852 1.261 . . . . 0.0 112.674 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.67 26.1 72.94 Favored Glycine 0 C--O 1.215 -1.046 0 C-N-CA 124.873 1.225 . . . . 0.0 113.791 -172.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -80.08 58.58 3.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.882 1.673 . . . . 0.0 111.48 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.18 -13.46 18.11 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -80.93 -18.93 45.44 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 125.023 1.329 . . . . 0.0 113.092 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.36 -43.73 20.63 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.498 1.045 . . . . 0.0 110.573 161.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.27 -38.48 73.97 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.372 -0.83 . . . . 0.0 112.844 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.69 -8.38 2.9 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -133.91 17.17 3.85 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 126.344 1.858 . . . . 0.0 113.074 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.7 tp -137.97 -28.84 0.86 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.07 -31.98 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 120.23 1.377 . . . . 0.0 111.193 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -48.43 -28.57 3.34 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 168.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -83.2 -34.54 25.91 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.915 0.886 . . . . 0.0 112.678 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.7 pt -77.02 -32.33 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 119.136 0.88 . . . . 0.0 112.121 169.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.14 -46.47 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.019 0.827 . . . . 0.0 110.203 165.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.87 -34.13 76.73 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.171 -0.919 . . . . 0.0 113.25 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.6 98.4 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.999 1.272 . . . . 0.0 112.588 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -73.01 -42.83 62.82 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -59.86 -42.38 93.54 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 112.981 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -63.95 -43.87 94.52 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 124.398 1.079 . . . . 0.0 111.225 170.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.63 69.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.826 1.194 . . . . 0.0 112.377 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.01 -26.93 37.48 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 CA-C-N 119.549 1.068 . . . . 0.0 113.758 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -80.62 -51.6 8.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.391 0.996 . . . . 0.0 112.548 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.0 t -69.67 -41.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.635 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -64.16 -37.76 88.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 120.253 1.388 . . . . 0.0 112.425 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -66.16 -40.11 90.31 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.521 1.055 . . . . 0.0 112.533 174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.87 -38.89 80.02 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.537 0.735 . . . . 0.0 111.667 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.6 76.21 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.652 1.181 . . . . 0.0 113.252 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.68 76.04 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 119.089 0.859 . . . . 0.0 112.739 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -73.97 -30.84 62.71 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 120.793 -1.192 . . . . 0.0 112.428 173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.79 -3.89 57.25 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.913 1.685 . . . . 0.0 114.299 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 133.98 52.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 124.289 1.035 . . . . 0.0 112.46 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -143.46 7.48 1.52 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.901 1.68 . . . . 0.0 113.398 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -141.34 119.35 7.83 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 110.575 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.78 -35.68 70.32 Favored 'Trans proline' 0 C--O 1.211 -0.826 0 C-N-CA 123.992 3.128 . . . . 0.0 116.169 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -77.52 -39.51 45.87 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.828 1.194 . . . . 0.0 112.782 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -73.33 -5.73 41.55 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.605 -1.31 . . . . 0.0 113.873 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -100.76 -7.02 24.14 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 126.999 2.12 . . . . 0.0 113.411 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.51 -11.83 38.09 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 m -133.71 -8.37 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mm -49.07 -56.81 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 120.827 1.649 . . . . 0.0 111.966 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.84 -29.51 68.67 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.26 -44.07 63.38 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 125.023 1.329 . . . . 0.0 111.679 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.91 -44.88 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 123.641 0.776 . . . . 0.0 110.457 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 tp -54.67 -38.75 67.32 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.391 1.076 . . . . 0.0 112.87 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.15 -25.59 68.15 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 124.337 1.055 . . . . 0.0 113.645 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -79.35 -39.92 31.48 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.534 -1.354 . . . . 0.0 112.557 168.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.78 -38.78 87.21 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.054 -1.029 . . . . 1.0 112.421 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.95 -20.35 63.73 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 124.585 1.154 . . . . 0.0 113.86 170.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -84.0 -51.54 7.04 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.02 -1.05 . . . . 0.0 111.255 171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -58.41 -39.48 79.85 Favored 'General case' 0 N--CA 1.379 -3.999 0 N-CA-C 118.025 2.602 . . . . 1.0 118.025 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.1 tt -62.78 -24.46 35.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -88.53 -33.73 17.65 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.064 1.346 . . . . 0.0 112.494 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -61.65 -42.18 98.55 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.937 0.79 . . . . 0.0 111.5 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.07 -32.3 71.94 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.015 0.926 . . . . 0.0 113.129 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -66.53 -51.85 52.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.562 1.073 . . . . 0.0 110.879 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.34 -48.86 77.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.916 0.887 . . . . 0.0 112.225 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.84 -20.49 57.28 Favored 'General case' 0 C--O 1.205 -1.251 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 m -101.14 -4.23 27.68 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 126.0 1.72 . . . . 0.0 114.786 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -135.26 -8.54 2.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.88 -14.27 59.09 Favored 'General case' 0 C--O 1.203 -1.348 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.81 23.11 62.6 Favored Glycine 0 C--O 1.218 -0.85 0 C-N-CA 125.451 1.5 . . . . 0.0 114.283 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -154.2 144.12 21.83 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.327 1.451 . . . . 0.0 111.383 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.13 25.26 2.29 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.516 1.526 . . . . 0.0 113.176 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.23 -38.06 38.54 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.437 1.495 . . . . 0.0 114.111 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -128.72 20.44 6.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.212 1.805 . . . . 0.0 112.298 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -57.75 -45.13 86.28 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.322 1.449 . . . . 0.0 114.06 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.42 -32.57 64.99 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 m -64.63 -41.65 96.02 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 123.23 0.612 . . . . 0.0 111.879 175.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.5 tp -69.29 -41.0 77.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.432 1.093 . . . . 0.0 112.216 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.63 -46.61 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -68.92 -35.88 77.33 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -63.98 -33.0 74.75 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.238 1.015 . . . . 0.0 112.838 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.9 mt -78.91 -43.47 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 171.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 tt -50.02 -50.29 47.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.751 1.22 . . . . 0.0 111.483 174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.96 -21.13 64.55 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 125.576 1.55 . . . . 0.0 114.358 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -86.09 -37.4 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 120.67 -1.269 . . . . 0.0 112.289 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.84 -38.96 92.86 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.198 0.599 . . . . 1.0 111.705 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -60.23 -8.89 2.79 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 170.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -104.91 -36.29 7.41 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.355 1.434 . . . . 0.0 112.428 167.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -54.16 -38.48 65.58 Favored 'General case' 0 N--CA 1.379 -4.0 0 N-CA-C 117.23 2.307 . . . . 1.0 117.23 170.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.65 -20.25 24.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 C-N-CA 124.536 1.134 . . . . 0.0 113.804 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -94.48 -39.99 10.12 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.99 1.316 . . . . 0.0 111.339 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.36 -45.19 88.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.147 0.979 . . . . 0.0 112.402 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.04 -26.02 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.139 -0.976 . . . . 0.0 112.808 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -81.16 -22.57 38.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.532 1.933 . . . . 0.0 113.541 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.95 -35.75 35.09 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.542 1.937 . . . . 0.0 115.474 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -128.26 25.32 5.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.922 2.089 . . . . 0.0 113.161 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.532 2.733 . . . . 0.0 115.751 -179.822 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_