data_2n9a_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 2n9a _Structure_validation_residue.Date_analyzed 2016-11-11 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 ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 11' ' ' THR . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 10' ' ' ILE . 51.5 p . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.025 0.44 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 118.141 -0.933 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.67 -38.45 90.36 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 121.184 1.811 . . . . 0.0 113.212 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.13 -1.99 3.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 114.037 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -140.16 128.2 22.21 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.785 -1.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.23 -34.55 65.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.054 1.342 . . . . 0.0 112.479 -170.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.55 -31.41 62.11 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.648 1.179 . . . . 0.0 113.474 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p 43.07 49.97 5.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.554 -1.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.0 -39.12 65.79 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.657 1.572 . . . . 0.0 114.387 -167.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.64 -7.64 34.97 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p 51.33 162.29 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 118.619 -2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.147 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.31 -37.94 85.05 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.402 1.91 . . . . 0.0 113.565 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.39 -3.67 15.21 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.396 1.078 . . . . 0.0 113.477 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 11' ' ' THR . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.444 ' H ' HG13 ' A' ' 10' ' ' ILE . 51.5 p 57.46 168.28 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 119.483 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.771 1.623 . . . . 0.0 114.578 -169.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -67.88 -2.48 7.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.885 1.274 . . . . 0.0 114.211 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -141.6 129.52 21.87 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 O-C-N 120.33 -1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -139.08 -46.65 0.47 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.899 1.28 . . . . 0.0 111.515 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.19 -44.42 88.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.155 0.982 . . . . 0.0 112.15 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -102.69 128.16 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.672 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 117.719 -1.134 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt 54.16 70.09 0.65 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.138 1.375 . . . . 0.0 113.404 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -127.3 -58.96 1.25 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.63 1.172 . . . . 0.0 110.401 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p 59.13 153.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.132 -2.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.64 -52.06 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.918 0.762 . . . . 0.0 111.021 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.36 2.94 3.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.998 1.319 . . . . 0.0 113.989 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p 58.61 159.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 119.266 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -134.98 -51.5 0.78 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.985 0.803 . . . . 0.0 111.701 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -21.4 64.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.989 0.916 . . . . 0.0 112.623 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p 56.89 174.0 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.7 mt -94.95 -37.66 11.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.638 0.775 . . . . 0.0 111.999 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.76 -29.42 69.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.223 1.009 . . . . 0.0 112.338 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 p -135.95 129.7 32.56 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.975 -1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.03 -40.65 2.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.496 1.118 . . . . 0.0 112.082 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.96 -17.8 64.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.996 0.918 . . . . 0.0 112.685 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -144.58 125.64 14.52 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 O-C-N 120.274 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt -115.3 -52.39 2.67 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 110.653 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt -67.66 4.16 1.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.381 1.872 . . . . 0.0 114.501 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p -141.33 131.91 25.49 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 O-C-N 121.173 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt 60.63 61.64 1.67 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.269 1.828 . . . . 0.0 115.921 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.18 -28.78 8.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -88.79 126.39 35.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 117.741 -1.124 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.61 -35.41 76.06 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.659 1.572 . . . . 0.0 114.38 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.0 -31.4 68.76 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.636 0.775 . . . . 0.0 112.577 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p -143.66 124.82 14.51 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.206 -0.426 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 mt -125.96 -48.87 1.61 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.801 1.24 . . . . 0.0 111.211 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.01 -12.24 48.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.206 1.002 . . . . 0.0 113.387 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p -132.68 130.44 40.09 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 121.038 -1.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 117.669 -1.157 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tt -71.42 -38.19 71.41 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 121.045 1.748 . . . . 0.0 113.847 -166.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt -56.28 -38.26 70.97 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.488 1.115 . . . . 0.0 112.345 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -163.77 122.46 1.95 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 O-C-N 120.379 -1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.42 -35.26 70.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.48 1.491 . . . . 0.0 113.653 -176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.9 -13.6 36.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.015 1.326 . . . . 0.0 113.868 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -143.07 127.37 17.68 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 121.915 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 119.198 -0.43 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 mt -126.8 -49.41 1.49 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.741 1.216 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.15 -19.55 61.67 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.397 1.079 . . . . 0.0 112.977 173.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -119.37 146.0 45.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.309 -1.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.32 -38.22 4.76 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.95 -42.93 95.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.006 0.522 . . . . 0.0 109.932 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.39 137.19 54.48 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.65 78.84 1.51 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.809 1.186 . . . . 0.0 111.742 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.56 -21.17 4.54 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 112.483 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -135.64 128.15 30.57 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.47 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.025 0.44 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 11' ' ' THR . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.447 HG23 HD12 ' A' ' 10' ' ' ILE . 40.5 p . . . . . 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 118.141 -0.933 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.67 -38.45 90.36 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 121.184 1.811 . . . . 0.0 113.212 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.13 -1.99 3.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 114.037 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -140.16 128.2 22.21 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.785 -1.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.23 -34.55 65.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.054 1.342 . . . . 0.0 112.479 -170.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.55 -31.41 62.11 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.648 1.179 . . . . 0.0 113.474 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p 43.07 49.97 5.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.554 -1.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.0 -39.12 65.79 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.657 1.572 . . . . 0.0 114.387 -167.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.64 -7.64 34.97 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p 51.33 162.29 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 118.619 -2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.147 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.31 -37.94 85.05 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.402 1.91 . . . . 0.0 113.565 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.39 -3.67 15.21 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.396 1.078 . . . . 0.0 113.477 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 p 57.46 168.28 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 119.483 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.771 1.623 . . . . 0.0 114.578 -169.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -67.88 -2.48 7.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.885 1.274 . . . . 0.0 114.211 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -141.6 129.52 21.87 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 O-C-N 120.33 -1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -139.08 -46.65 0.47 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.899 1.28 . . . . 0.0 111.515 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.19 -44.42 88.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.155 0.982 . . . . 0.0 112.15 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -102.69 128.16 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.672 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 117.719 -1.134 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt 54.16 70.09 0.65 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.138 1.375 . . . . 0.0 113.404 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -127.3 -58.96 1.25 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.63 1.172 . . . . 0.0 110.401 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p 59.13 153.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.132 -2.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.64 -52.06 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.918 0.762 . . . . 0.0 111.021 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.36 2.94 3.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.998 1.319 . . . . 0.0 113.989 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p 58.61 159.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 119.266 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -134.98 -51.5 0.78 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.985 0.803 . . . . 0.0 111.701 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -21.4 64.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.989 0.916 . . . . 0.0 112.623 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p 56.89 174.0 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.7 mt -94.95 -37.66 11.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.638 0.775 . . . . 0.0 111.999 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.76 -29.42 69.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.223 1.009 . . . . 0.0 112.338 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 11' ' ' THR . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.447 HG23 HD12 ' A' ' 10' ' ' ILE . 40.5 p -135.95 129.7 32.56 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.975 -1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.03 -40.65 2.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.496 1.118 . . . . 0.0 112.082 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.96 -17.8 64.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.996 0.918 . . . . 0.0 112.685 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -144.58 125.64 14.52 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 O-C-N 120.274 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt -115.3 -52.39 2.67 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 110.653 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt -67.66 4.16 1.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.381 1.872 . . . . 0.0 114.501 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p -141.33 131.91 25.49 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 O-C-N 121.173 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt 60.63 61.64 1.67 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.269 1.828 . . . . 0.0 115.921 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.18 -28.78 8.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -88.79 126.39 35.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 117.741 -1.124 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.61 -35.41 76.06 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.659 1.572 . . . . 0.0 114.38 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.0 -31.4 68.76 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.636 0.775 . . . . 0.0 112.577 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p -143.66 124.82 14.51 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.206 -0.426 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 mt -125.96 -48.87 1.61 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.801 1.24 . . . . 0.0 111.211 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.01 -12.24 48.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.206 1.002 . . . . 0.0 113.387 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p -132.68 130.44 40.09 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 121.038 -1.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 117.669 -1.157 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tt -71.42 -38.19 71.41 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 121.045 1.748 . . . . 0.0 113.847 -166.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt -56.28 -38.26 70.97 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.488 1.115 . . . . 0.0 112.345 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -163.77 122.46 1.95 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 O-C-N 120.379 -1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.42 -35.26 70.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.48 1.491 . . . . 0.0 113.653 -176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.9 -13.6 36.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.015 1.326 . . . . 0.0 113.868 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -143.07 127.37 17.68 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 121.915 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 119.198 -0.43 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 mt -126.8 -49.41 1.49 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.741 1.216 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.15 -19.55 61.67 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.397 1.079 . . . . 0.0 112.977 173.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -119.37 146.0 45.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.309 -1.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.32 -38.22 4.76 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.95 -42.93 95.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.006 0.522 . . . . 0.0 109.932 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.39 137.19 54.48 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.65 78.84 1.51 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.809 1.186 . . . . 0.0 111.742 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.56 -21.17 4.54 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 112.483 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -135.64 128.15 30.57 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.47 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.025 0.44 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 11' ' ' THR . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.447 HG23 HD12 ' A' ' 10' ' ' ILE . 40.5 p . . . . . 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.54 0.596 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 118.141 -0.933 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.67 -38.45 90.36 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 121.184 1.811 . . . . 0.0 113.212 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.13 -1.99 3.76 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.846 1.658 . . . . 0.0 114.037 174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -95.0 -13.56 25.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.356 1.062 . . . . 0.0 112.71 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.69 -58.33 2.16 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.091 1.357 . . . . 0.0 111.026 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.66 -24.32 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.62 1.168 . . . . 0.0 110.719 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -30.83 43.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 114.87 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.98 -19.51 51.47 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.083 0.953 . . . . 0.0 112.997 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.11 -0.17 57.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.186 1.394 . . . . 0.0 112.851 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -123.07 -23.16 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.586 1.554 . . . . 0.0 114.59 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -140.16 128.2 22.21 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.681 1.582 . . . . 0.0 111.854 173.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.785 -1.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 119.716 -0.183 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.23 -34.55 65.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.054 1.342 . . . . 0.0 112.479 -170.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.55 -31.41 62.11 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.648 1.179 . . . . 0.0 113.474 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -67.28 -19.33 65.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.788 1.235 . . . . 0.0 113.79 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.76 -42.41 11.95 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.818 1.247 . . . . 0.0 111.361 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.05 -29.34 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.928 1.291 . . . . 0.0 111.617 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -45.1 -39.37 5.86 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.536 1.934 . . . . 0.0 113.748 170.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -80.3 -10.12 59.75 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 mp -100.16 -32.98 10.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.056 1.342 . . . . 0.0 111.477 175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -92.97 -29.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p 43.07 49.97 5.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.369 2.267 . . . . 0.0 115.599 169.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.554 -1.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.1 mt -54.0 -39.12 65.79 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.657 1.572 . . . . 0.0 114.387 -167.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.64 -7.64 34.97 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 t -89.97 -20.79 22.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.775 1.171 . . . . 0.0 112.699 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -94.54 -56.65 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.609 1.163 . . . . 0.0 111.194 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.39 -21.53 26.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 124.434 1.094 . . . . 0.0 111.359 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -19.19 53.86 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.326 1.85 . . . . 0.0 115.215 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.97 -10.96 40.45 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.641 1.576 . . . . 0.0 113.568 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -107.69 8.21 28.87 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.854 2.061 . . . . 0.0 113.326 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.54 -62.35 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 126.41 1.884 . . . . 0.0 111.834 174.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.295 51.3 p 51.33 162.29 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.373 2.669 . . . . 0.0 116.177 -173.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 118.619 -2.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.147 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.31 -37.94 85.05 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.402 1.91 . . . . 0.0 113.565 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.39 -3.67 15.21 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.396 1.078 . . . . 0.0 113.477 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -90.89 -16.92 27.34 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.493 1.117 . . . . 0.0 112.655 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.33 -56.49 2.2 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.947 1.299 . . . . 0.0 110.936 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 mt -62.98 -21.77 28.93 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.552 1.141 . . . . 0.0 111.555 -173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -19.46 21.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.47 1.908 . . . . 0.0 115.396 173.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -90.02 -14.36 34.09 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.551 1.54 . . . . 0.0 113.778 172.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.64 -0.11 32.38 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.022 1.729 . . . . 0.0 113.64 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -105.38 -72.89 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.675 1.59 . . . . 0.0 111.011 166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 p 57.46 168.28 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.868 2.067 . . . . 0.0 114.421 -168.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 119.483 -2.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.771 1.623 . . . . 0.0 114.578 -169.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -67.88 -2.48 7.43 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.885 1.274 . . . . 0.0 114.211 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -96.07 -10.39 28.5 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.714 1.143 . . . . 0.0 113.932 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -108.86 -55.94 2.34 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.854 1.261 . . . . 0.0 110.283 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.86 -21.1 27.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 124.339 1.056 . . . . 0.0 110.848 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.19 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.443 -1.411 . . . . 0.0 114.746 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.99 -23.57 41.49 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.355 1.062 . . . . 0.0 113.058 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.14 -1.3 57.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.841 1.656 . . . . 0.0 113.345 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.73 -32.5 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.385 1.474 . . . . 0.0 114.232 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -141.6 129.52 21.87 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 121.073 1.76 . . . . 0.0 112.996 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 O-C-N 120.33 -1.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.7 mt -139.08 -46.65 0.47 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.899 1.28 . . . . 0.0 111.515 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.19 -44.42 88.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.155 0.982 . . . . 0.0 112.15 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 p -71.72 3.59 3.96 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -109.05 -47.3 3.45 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.021 1.328 . . . . 0.0 110.929 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mt -62.51 -24.25 34.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.753 0.821 . . . . 0.0 109.848 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -31.0 3.51 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.489 2.716 . . . . 0.0 117.121 171.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -88.6 -8.49 54.6 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.38 -15.14 17.31 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.337 1.455 . . . . 0.0 112.873 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -99.95 -42.75 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.189 1.396 . . . . 0.0 113.984 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -102.69 128.16 49.51 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.556 1.071 . . . . 0.0 111.232 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 121.672 -0.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 117.719 -1.134 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt 54.16 70.09 0.65 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.138 1.375 . . . . 0.0 113.404 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.2 mt -127.3 -58.96 1.25 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.63 1.172 . . . . 0.0 110.401 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 m -66.73 9.04 0.2 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.41 2.284 . . . . 0.0 115.779 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.72 -50.21 2.85 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.073 1.749 . . . . 0.0 110.128 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.18 -23.25 31.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.056 0 C-N-CA 125.244 1.417 . . . . 0.0 110.702 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -50.04 -20.73 1.03 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.389 2.676 . . . . 0.0 116.433 168.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -99.22 -12.05 20.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.584 1.553 . . . . 0.0 114.569 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.83 -15.1 19.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.343 1.457 . . . . 0.0 113.102 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.99 -73.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.001 1.321 . . . . 0.0 111.746 172.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 p 59.13 153.57 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.316 2.246 . . . . 0.0 115.419 -171.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 O-C-N 119.132 -2.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -132.64 -52.06 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.918 0.762 . . . . 0.0 111.021 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.36 2.94 3.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.998 1.319 . . . . 0.0 113.989 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -95.87 -14.4 23.2 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.33 1.052 . . . . 0.0 112.864 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.95 -56.53 2.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.638 1.175 . . . . 0.0 110.568 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.7 mt -65.64 -20.81 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 C-N-CA 124.253 1.021 . . . . 0.0 111.059 -176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -24.95 68.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.749 2.02 . . . . 0.0 115.773 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -85.46 -20.49 29.68 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 112.724 174.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.4 -24.16 23.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 112.218 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.3 -73.77 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.482 1.113 . . . . 0.0 112.096 170.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p 58.61 159.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.872 2.069 . . . . 0.0 115.203 -169.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 119.266 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 119.06 -0.495 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -134.98 -51.5 0.78 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 123.985 0.803 . . . . 0.0 111.701 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.7 -21.4 64.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.989 0.916 . . . . 0.0 112.623 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 m -82.7 -5.09 58.69 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.437 1.495 . . . . 0.0 113.897 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 mt -109.69 -56.02 2.36 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.09 1.756 . . . . 0.0 109.743 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -66.0 -22.78 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 124.353 1.061 . . . . 0.0 111.025 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -22.25 64.0 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 119.443 -2.036 . . . . 0.0 115.572 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.24 -19.9 49.51 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.464 1.105 . . . . 0.0 112.478 172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.03 -32.23 18.89 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.127 1.371 . . . . 0.0 111.801 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -83.11 -62.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.769 0.827 . . . . 0.0 113.188 173.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.9 p 56.89 174.0 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.395 1.878 . . . . 0.0 115.276 -171.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 O-C-N 119.327 -2.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.7 mt -94.95 -37.66 11.05 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.638 0.775 . . . . 0.0 111.999 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.76 -29.42 69.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.223 1.009 . . . . 0.0 112.338 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t -75.82 2.95 10.96 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.641 1.177 . . . . 0.0 114.01 176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.98 -48.24 2.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.45 1.5 . . . . 0.0 110.896 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.88 -19.77 26.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 121.524 -0.735 . . . . 0.0 111.379 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -30.51 71.21 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.526 1.93 . . . . 0.0 115.339 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.82 -20.48 46.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.943 1.297 . . . . 0.0 112.8 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.89 -4.56 57.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.394 1.478 . . . . 0.0 113.284 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 11' ' ' THR . 2.8 pp -118.53 -25.82 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.129 1.772 . . . . 0.0 113.969 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.447 HG23 HD12 ' A' ' 10' ' ' ILE . 40.5 p -135.95 129.7 32.56 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 119.704 1.138 . . . . 0.0 111.433 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.975 -1.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.03 -40.65 2.82 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.496 1.118 . . . . 0.0 112.082 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.96 -17.8 64.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.996 0.918 . . . . 0.0 112.685 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -82.98 -8.32 59.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.37 1.468 . . . . 0.0 114.423 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.46 -56.46 2.4 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.722 1.209 . . . . 0.0 110.125 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.91 -22.55 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 124.306 1.042 . . . . 0.0 110.774 -175.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -24.12 64.3 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -78.88 -28.24 44.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.619 1.168 . . . . 0.0 112.903 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.86 -0.58 55.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.265 1.026 . . . . 0.0 113.092 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.03 -30.35 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 113.828 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -144.58 125.64 14.52 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.51 1.504 . . . . 0.0 112.944 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 O-C-N 120.274 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.6 mt -115.3 -52.39 2.67 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 110.653 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.8 mt -67.66 4.16 1.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.381 1.872 . . . . 0.0 114.501 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -116.08 -4.59 11.97 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.171 1.789 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.93 -53.66 2.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.711 1.604 . . . . 0.0 109.755 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.04 -20.26 27.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 124.312 1.045 . . . . 0.0 110.341 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -32.7 74.55 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.68 1.992 . . . . 0.0 115.117 176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -81.36 -12.85 58.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.443 1.497 . . . . 0.0 112.442 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -96.42 -14.8 22.17 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -106.12 -19.74 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.397 1.479 . . . . 0.0 113.634 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p -141.33 131.91 25.49 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.546 1.067 . . . . 0.0 111.992 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 O-C-N 121.173 -0.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt 60.63 61.64 1.67 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.269 1.828 . . . . 0.0 115.921 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.18 -28.78 8.84 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.133 1.161 . . . . 0.0 114.133 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.21 -5.24 53.84 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.999 1.272 . . . . 0.0 114.002 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -105.87 -59.48 1.77 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.886 1.274 . . . . 0.0 111.28 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -64.46 -24.08 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 124.93 1.292 . . . . 0.0 111.431 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -19.78 59.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -89.64 -13.52 36.89 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.926 1.29 . . . . 0.0 113.649 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.0 mt -98.87 -21.06 16.5 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.736 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -91.11 -13.01 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.676 1.59 . . . . 0.0 114.62 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -88.79 126.39 35.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.134 0.969 . . . . 0.0 112.416 -169.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 117.741 -1.124 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.61 -35.41 76.06 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.659 1.572 . . . . 0.0 114.38 -173.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.0 -31.4 68.76 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.636 0.775 . . . . 0.0 112.577 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.0 m -63.65 -14.31 50.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.009 1.724 . . . . 0.0 114.026 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.59 -58.29 1.99 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.767 1.627 . . . . 0.0 110.047 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 mm -61.32 -25.25 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.328 0.651 . . . . 0.0 111.984 -174.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -22.54 32.29 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -79.99 -28.59 39.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.644 1.577 . . . . 0.0 113.56 173.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.77 -5.92 59.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.363 1.065 . . . . 0.0 113.002 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -114.25 -31.03 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.552 1.541 . . . . 0.0 114.193 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.5 p -143.66 124.82 14.51 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 120.911 1.687 . . . . 0.0 113.308 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 119.206 -0.426 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 mt -125.96 -48.87 1.61 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.801 1.24 . . . . 0.0 111.211 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.01 -12.24 48.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.206 1.002 . . . . 0.0 113.387 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -96.51 -3.22 43.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.421 1.488 . . . . 0.0 113.506 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.8 -53.93 2.37 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.735 1.614 . . . . 0.0 109.756 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.5 mt -65.52 -23.26 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.127 0 C-N-CA 124.68 1.192 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -32.05 73.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 120.057 -1.652 . . . . 0.0 114.776 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.34 -12.53 60.01 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.036 1.334 . . . . 0.0 112.901 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -95.73 -17.86 20.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.138 1.375 . . . . 0.0 112.529 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -105.97 -26.46 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.215 1.406 . . . . 0.0 114.747 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 p -132.68 130.44 40.09 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 120.299 1.409 . . . . 0.0 111.926 172.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 121.038 -1.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 117.669 -1.157 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tt -71.42 -38.19 71.41 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 121.045 1.748 . . . . 0.0 113.847 -166.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.2 mt -56.28 -38.26 70.97 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.488 1.115 . . . . 0.0 112.345 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -67.46 -10.1 48.26 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.012 1.725 . . . . 0.0 114.458 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.84 -45.77 7.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.689 1.196 . . . . 0.0 111.241 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.71 -24.89 36.81 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.676 0.791 . . . . 0.0 110.373 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -39.09 8.48 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.931 2.093 . . . . 0.0 115.706 171.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -78.93 -10.7 59.89 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.83 4.52 32.23 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.22 2.208 . . . . 0.0 112.782 177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -124.16 -44.21 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.088 1.355 . . . . 0.0 114.214 172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -163.77 122.46 1.95 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.348 1.431 . . . . 0.0 112.368 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 O-C-N 120.379 -1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.42 -35.26 70.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.48 1.491 . . . . 0.0 113.653 -176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 mt -62.9 -13.6 36.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.015 1.326 . . . . 0.0 113.868 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -100.58 6.2 44.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.712 1.605 . . . . 0.0 113.119 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -120.64 -47.94 2.3 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.981 1.712 . . . . 0.0 110.488 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 mt -62.31 -23.24 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 124.448 1.099 . . . . 0.0 110.594 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -34.04 9.6 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 128.814 2.846 . . . . 0.0 116.048 172.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.92 -14.52 44.52 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -93.91 -10.94 32.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.188 1.395 . . . . 0.0 113.023 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -106.3 -20.57 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.94 1.296 . . . . 0.0 114.118 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -143.07 127.37 17.68 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.711 1.142 . . . . 0.0 111.088 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 O-C-N 121.915 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 119.198 -0.43 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 mt -126.8 -49.41 1.49 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.741 1.216 . . . . 0.0 111.009 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.15 -19.55 61.67 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.397 1.079 . . . . 0.0 112.977 173.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 m -102.12 11.26 38.61 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.935 1.694 . . . . 0.0 113.272 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 -54.02 1.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.612 1.565 . . . . 0.0 110.194 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -62.54 -29.69 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 125.204 1.402 . . . . 0.0 109.696 174.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -31.64 72.86 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.227 -1.546 . . . . 0.0 114.136 174.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -75.98 -5.27 45.51 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.174 0.99 . . . . 0.0 112.565 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.7 mt -106.35 -25.59 11.85 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.207 1.803 . . . . 0.0 113.184 177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pt -91.98 -40.24 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -119.37 146.0 45.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.315 0.961 . . . . 0.0 111.893 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.309 -1.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.32 -38.22 4.76 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.95 -42.93 95.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.006 0.522 . . . . 0.0 109.932 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t -80.43 22.86 0.53 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.974 1.31 . . . . 0.0 114.374 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.87 -53.29 1.76 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.781 1.632 . . . . 0.0 109.065 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.78 -34.9 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.349 1.06 . . . . 0.0 110.564 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -28.18 69.72 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 120.047 -1.658 . . . . 0.0 114.518 175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -78.28 -12.66 60.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.603 1.561 . . . . 0.0 112.922 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.8 mt -94.46 -34.14 12.84 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.437 1.095 . . . . 0.0 111.964 172.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -86.31 -37.6 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.39 137.19 54.48 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 120.027 1.285 . . . . 0.0 112.148 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 mt -73.65 78.84 1.51 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.809 1.186 . . . . 0.0 111.742 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.56 -21.17 4.54 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 112.483 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.8 p -80.68 -7.32 59.28 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.24 -58.2 2.17 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.332 1.453 . . . . 0.0 110.917 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.25 -19.16 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.889 1.276 . . . . 0.0 111.068 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -30.31 71.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.304 1.842 . . . . 0.0 115.619 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.6 -21.33 41.7 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.869 1.268 . . . . 0.0 112.8 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 mt -83.32 -18.2 39.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 112.237 175.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 pp -108.38 -26.77 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 p -135.64 128.15 30.57 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 120.683 1.583 . . . . 0.0 112.053 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.47 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_