data_1wr1_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 1wr1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 114.028 0.742 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 CA--C 1.538 0.707 0 N-CA-C 113.753 0.636 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.797 ' CA ' ' H2 ' ' A' ' 1' ' ' MET . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.498 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.145 0.787 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 113.663 0.601 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.534 0.502 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 113.371 0.489 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 CA--C 1.536 0.58 0 N-CA-C 113.436 0.514 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 CA--C 1.537 0.674 0 N-CA-C 113.014 0.351 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 113.416 0.506 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.491 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 N-CA-C 113.23 0.435 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.484 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 CA--C 1.53 0.318 0 N-CA-C 114.378 0.876 . . . . 0.0 114.378 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 113.964 0.717 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . 0.45 HE21 HD23 ' B' ' 365' ' ' LEU . 3.9 mm-40 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . 0.45 HD23 HE21 ' B' ' 362' ' ' GLN 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.423 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 N-CA-C 113.134 0.398 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 113.467 0.526 . . . . 0.0 113.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.478 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 . . . . . 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 114.408 0.888 . . . . 0.0 114.408 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.514 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.514 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.535 0.569 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.536 0.582 0 N-CA-C 114.104 0.771 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.514 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.514 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.537 0.63 0 N-CA-C 113.95 0.711 . . . . 0.0 113.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.537 0.651 0 N-CA-C 113.68 0.608 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.506 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 113.946 0.71 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.99 -11.38 13.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -118.05 11.24 13.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.343 2.657 . . . . 0.0 113.661 175.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 62.44 -59.6 0.13 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.233 3.013 . . . . 0.0 114.848 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 12.34 83.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.942 1.258 . . . . 0.0 115.956 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.869 1.7 . . . . 0.0 113.133 -178.579 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 N-CA-C 113.049 0.365 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.01 5.11 89.71 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 44.8 pt -69.18 170.12 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.551 1.54 . . . . 0.0 112.826 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 21.2 m 61.17 -173.65 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.515 1.926 . . . . 0.0 114.485 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -171.0 -172.8 37.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.611 1.577 . . . . 0.0 112.846 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.23 167.14 40.27 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.248 0.928 . . . . 0.0 114.166 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.21 -171.45 41.94 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.875 1.226 . . . . 0.0 113.504 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -157.65 -178.82 32.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.032 1.301 . . . . 0.0 112.613 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.77 39.92 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.634 1.112 . . . . 0.0 114.152 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.1 pt -63.79 -7.21 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.133 1.773 . . . . 0.0 115.372 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 16.4 tp -122.15 -2.02 9.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 112.806 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.4 146.55 93.14 Favored Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 120.379 -1.451 . . . . 0.0 112.184 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.4 -28.9 78.66 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.697 2.931 . . . . 0.0 114.028 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.29 -39.61 83.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -84.47 5.64 26.62 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.873 2.069 . . . . 0.0 114.371 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? 56.93 5.32 0.22 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.391 2.676 . . . . 0.0 115.921 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 11.41 85.3 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.954 1.264 . . . . 0.0 114.408 -171.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 C-N-CA 125.968 1.747 . . . . 0.0 113.295 -176.165 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 113.329 0.473 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -76.79 1.38 62.69 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.28 -13.89 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.754 1.621 . . . . 0.0 115.147 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 62.4 p -67.45 -18.68 65.18 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.67 1.588 . . . . 0.0 114.498 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -176.92 -58.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.045 1.307 . . . . 0.0 112.697 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.0 -46.7 1.82 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.68 2.086 . . . . 0.0 115.925 169.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -170.26 20.92 0.08 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.99 1.281 . . . . 0.0 115.11 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -173.85 -178.74 44.01 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.005 1.403 . . . . 0.0 114.088 -175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 64.77 -104.6 0.96 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.761 1.648 . . . . 0.0 111.578 -174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.75 -11.39 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 21.4 tp -121.63 18.46 11.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 129.04 2.936 . . . . 0.0 111.645 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.12 135.76 93.54 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 120.548 -1.345 . . . . 0.0 111.636 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.47 -31.79 6.85 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.847 3.031 . . . . 0.0 113.753 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.797 ' CA ' ' H2 ' ' A' ' 1' ' ' MET . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.73 -17.06 31.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.43 -43.18 79.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.089 2.156 . . . . 0.0 111.115 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -87.97 -43.17 11.95 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.314 1.846 . . . . 0.0 112.186 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.8 34.8 1.64 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 126.653 2.073 . . . . 0.0 115.572 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.406 1.955 . . . . 0.0 112.523 -178.344 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.809 0.657 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -177.21 179.66 47.94 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.385 1.469 . . . . 0.0 112.402 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.57 -13.12 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 25.2 m -64.6 -24.94 67.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.054 1.342 . . . . 0.0 113.048 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -92.97 45.46 2.48 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.345 1.926 . . . . 0.0 112.557 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -70.91 -10.28 67.75 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.317 1.437 . . . . 0.0 116.496 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 171.89 177.25 41.36 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 119.091 1.445 . . . . 0.0 114.812 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.61 38.33 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.915 1.722 . . . . 0.0 112.998 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.44 -24.82 75.04 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.182 0.896 . . . . 0.0 115.211 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.16 14.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 127.644 2.378 . . . . 0.0 113.635 -174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.22 -28.53 69.75 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.924 2.089 . . . . 0.0 114.46 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.04 130.99 91.74 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 123.666 0.786 . . . . 0.0 112.309 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.13 -30.62 75.38 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.039 3.159 . . . . 0.0 114.145 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -58.46 -19.09 33.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.72 -28.15 69.4 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.332 2.253 . . . . 0.0 113.204 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 53.34 18.98 1.43 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.936 2.494 . . . . 0.0 115.012 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.54 -11.43 9.65 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.701 2.096 . . . . 0.0 115.018 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.119 -1.378 . . . . 0.0 113.43 177.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 CA--C 1.542 0.896 0 N-CA-C 113.451 0.52 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -151.32 175.6 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.421 1.486 . . . . 0.0 112.342 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 18.8 tt -55.43 -32.26 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.992 1.317 . . . . 0.0 114.188 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 7.5 t -65.83 -18.96 65.69 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.055 1.342 . . . . 0.0 114.047 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -116.67 -28.32 2.54 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.577 1.56 . . . . 0.0 114.569 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -85.15 -13.02 72.35 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.73 1.157 . . . . 0.0 115.201 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 51.18 -101.06 0.05 OUTLIER Glycine 0 CA--C 1.536 1.376 0 C-N-CA 126.404 1.954 . . . . 0.0 114.137 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -91.16 2.86 79.57 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.31 1.434 . . . . 0.0 115.385 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 82.22 -55.92 4.96 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.658 1.599 . . . . 0.0 112.515 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.85 6.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.378 1.871 . . . . 0.0 114.501 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.62 -49.08 78.96 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.366 1.866 . . . . 0.0 111.802 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -72.97 133.87 81.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.956 0.902 . . . . 0.0 112.896 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.12 -30.22 55.79 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.805 3.003 . . . . 0.0 113.663 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -60.55 -18.74 54.34 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.88 -13.67 59.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.707 2.003 . . . . 0.0 113.516 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -123.44 -33.12 3.29 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.995 1.718 . . . . 0.0 113.188 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 -176.08 44.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.442 1.496 . . . . 0.0 113.428 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 C-N-CA 125.344 1.45 . . . . 0.0 112.954 179.527 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 CA--C 1.539 0.771 0 N-CA-C 113.433 0.513 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.29 -171.6 54.29 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.223 0.916 . . . . 0.0 114.167 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.18 176.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.517 1.527 . . . . 0.0 113.498 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 77.6 p -64.95 -4.84 5.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.71 23.57 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.597 1.57 . . . . 0.0 115.383 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -71.19 3.96 13.12 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.661 1.601 . . . . 0.0 116.278 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -152.3 173.77 31.36 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.452 1.977 . . . . 0.0 112.486 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 92.82 -78.56 1.14 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.388 0.994 . . . . 0.0 112.325 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.48 57.32 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.484 1.04 . . . . 0.0 114.352 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -1.76 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.163 1.385 . . . . 0.0 114.665 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.9 -6.61 12.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.36 1.864 . . . . 0.0 114.188 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -59.3 128.81 86.1 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.587 1.085 . . . . 0.0 112.098 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.22 -31.94 74.03 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 124.45 3.433 . . . . 0.0 114.009 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.57 -65.05 0.63 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -60.75 -24.03 65.41 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.131 2.172 . . . . 0.0 115.019 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.59 -25.3 62.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.689 1.196 . . . . 0.0 112.985 172.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.49 -2.2 90.58 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.436 1.493 . . . . 0.0 115.226 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.955 1.74 . . . . 0.0 112.944 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 113.248 0.442 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 173.03 177.38 42.26 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.65 1.119 . . . . 0.0 113.335 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.47 112.46 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.9 1.28 . . . . 0.0 109.936 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 68.8 m -69.53 88.3 0.49 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.139 1.376 . . . . 0.0 111.623 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.0 -2.71 66.29 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.157 1.361 . . . . 0.0 115.976 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 177.17 -174.48 47.06 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.534 1.54 . . . . 0.0 113.341 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 79.65 26.94 55.55 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 172.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -76.32 -4.43 79.39 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -172.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 77.76 -64.74 3.28 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.387 1.47 . . . . 0.0 112.826 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.03 2.59 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.039 1.736 . . . . 0.0 113.876 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.15 -23.26 66.44 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.29 2.236 . . . . 0.0 114.415 -170.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.19 135.83 93.67 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.748 0.819 . . . . 0.0 113.027 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.22 -31.29 53.95 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.663 2.909 . . . . 0.0 113.371 -170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -22.9 67.08 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.57 -33.58 66.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 112.416 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -67.37 -12.43 60.18 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.514 1.926 . . . . 0.0 115.127 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.61 -1.01 0.02 OUTLIER Glycine 0 CA--C 1.538 1.525 0 N-CA-C 118.756 2.263 . . . . 0.0 118.756 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.271 0 CA-C-N 119.807 1.804 . . . . 0.0 113.149 -176.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 N-CA-C 113.487 0.534 . . . . 0.0 113.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 78.45 1.83 82.92 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 3.2 mp 66.29 -56.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 128.913 2.885 . . . . 0.0 112.629 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.6 p -143.33 174.72 10.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.562 1.945 . . . . 0.0 112.547 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -95.0 -126.48 4.82 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.359 1.456 . . . . 0.0 113.234 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.69 -174.44 7.65 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.901 1.715 . . . . 0.0 114.615 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -59.4 -19.75 48.45 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -92.27 6.32 78.32 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.338 1.446 . . . . 0.0 114.792 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.75 -51.99 4.36 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.672 2.082 . . . . 0.0 113.765 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 33.1 pt -121.45 18.12 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 127.609 2.364 . . . . 0.0 112.674 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.36 -33.69 74.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.832 2.453 . . . . 0.0 114.745 -170.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.03 142.05 89.51 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.96 1.704 . . . . 0.0 115.505 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.94 -26.35 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.55 2.833 . . . . 0.0 113.436 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -63.99 -14.32 53.1 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.88 10.76 6.01 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.524 1.929 . . . . 0.0 114.428 -173.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -62.81 -25.75 68.4 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.486 1.514 . . . . 0.0 115.024 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.33 15.87 80.06 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.572 0.989 . . . . 0.0 115.572 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 C-N-CA 126.306 1.908 . . . . 0.0 114.135 -179.323 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 N--CA 1.486 1.082 0 N-CA-C 112.754 0.251 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -83.25 52.74 4.78 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.41 1.481 . . . . 0.0 113.337 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 36.5 mt 44.19 -86.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 129.069 2.948 . . . . 0.0 112.838 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 20.4 m -63.43 -23.64 67.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.516 1.527 . . . . 0.0 113.707 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 165.51 -84.26 0.1 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.192 1.377 . . . . 0.0 112.354 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 69.88 6.03 54.47 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.192 1.377 . . . . 0.0 116.222 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.65 -166.87 39.64 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.482 1.515 . . . . 0.0 113.247 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 161.61 -32.78 0.35 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.151 1.358 . . . . 0.0 114.025 175.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -120.01 83.49 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 126.336 1.922 . . . . 0.0 110.795 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . 0.253 21.1 pt 40.11 38.59 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 129.07 2.948 . . . . 0.0 115.118 -172.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 57.1 tp -119.59 -4.87 10.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.457 2.303 . . . . 0.0 112.592 -173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 149.02 98.5 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.242 1.417 . . . . 0.0 113.382 -173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.4 -28.17 46.67 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.14 2.56 . . . . 0.0 113.014 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.24 -8.8 57.62 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.09 114.75 8.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.815 2.046 . . . . 0.0 112.302 -171.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -131.67 -10.52 3.53 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.573 1.549 . . . . 0.0 114.964 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.0 -8.95 81.59 Favored Glycine 0 CA--C 1.539 1.545 0 N-CA-C 115.871 1.108 . . . . 0.0 115.871 -172.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 126.465 1.983 . . . . 0.0 112.403 -178.569 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 CA--C 1.535 0.574 0 N-CA-C 112.877 0.299 . . . . 0.0 112.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.97 -86.96 0.47 Allowed Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.98 1.276 . . . . 0.0 113.169 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.07 -23.65 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.571 1.549 . . . . 0.0 113.611 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 51.8 p -70.23 -8.38 49.56 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.956 1.702 . . . . 0.0 114.609 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 81.51 -54.81 4.82 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.915 1.722 . . . . 0.0 113.941 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 58.81 26.82 60.94 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.288 . . . . 0.0 114.914 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.67 -46.48 1.12 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.683 2.087 . . . . 0.0 114.112 -173.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -159.64 40.11 0.47 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.505 2.479 . . . . 0.0 111.857 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.99 -55.86 3.54 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 126.538 2.018 . . . . 0.0 113.681 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 40.4 pt -128.72 11.88 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 127.189 2.196 . . . . 0.0 113.489 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.07 -22.04 65.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.263 1.825 . . . . 0.0 115.047 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -64.49 136.37 96.74 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.164 -0.96 . . . . 0.0 112.695 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.34 -30.32 45.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.518 2.812 . . . . 0.0 113.416 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.491 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.79 -29.32 68.13 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.55 -45.5 79.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 111.868 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -67.67 -38.73 84.15 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.563 1.945 . . . . 0.0 111.935 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.2 80.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.122 1.344 . . . . 0.0 112.882 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 CA-C-O 117.31 -1.828 . . . . 0.0 114.053 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.483 0.895 0 N-CA-C 112.884 0.301 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 127.04 -165.76 20.11 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.222 1.391 . . . . 0.0 113.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.7 pt -57.25 -20.57 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.114 1.766 . . . . 0.0 115.514 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 66.8 p -73.02 -12.43 60.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.906 1.282 . . . . 0.0 114.438 173.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 83.76 2.68 89.76 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.268 1.413 . . . . 0.0 114.655 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 176.11 -73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 CA-C-N 118.503 1.151 . . . . 0.0 112.895 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -149.13 173.48 29.0 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.708 1.623 . . . . 0.0 113.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 70.52 -179.88 28.82 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.341 0.972 . . . . 0.0 113.734 -170.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 62.34 62.79 5.26 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.933 1.254 . . . . 0.0 113.888 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 23.1 mt 54.52 71.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.094 1.758 . . . . 0.0 110.179 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -85.45 2.59 43.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.387 2.275 . . . . 0.0 115.017 -175.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.58 131.25 81.95 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 113.604 -169.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.03 -28.79 41.14 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.67 2.913 . . . . 0.0 113.23 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.484 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -64.97 -18.16 65.03 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.04 -41.41 90.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.925 1.29 . . . . 0.0 113.351 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -132.89 -60.95 0.85 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.357 1.244 . . . . 0.0 114.357 -170.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 1.55 90.25 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.582 1.563 . . . . 0.0 112.597 -179.058 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 113.353 0.482 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 161.19 -178.74 37.01 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.61 1.1 . . . . 0.0 113.474 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.1 pt -66.04 -9.67 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.653 1.581 . . . . 0.0 115.154 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 12.7 t -60.54 -32.59 71.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.306 1.442 . . . . 0.0 113.9 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 65.32 -155.47 49.33 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.123 0.868 . . . . 0.0 113.728 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 165.15 -16.78 0.1 OUTLIER Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 173.74 179.51 44.43 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.685 1.243 . . . . 0.0 113.671 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 176.66 -171.87 44.82 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.336 1.446 . . . . 0.0 112.052 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -51.6 -32.59 32.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.063 0.839 . . . . 0.0 114.248 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.71 -2.94 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 127.529 2.331 . . . . 0.0 116.26 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.7 tp -95.32 -19.67 19.78 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.419 1.888 . . . . 0.0 113.385 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.63 155.26 81.15 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.73 -23.32 63.21 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.511 3.474 . . . . 0.0 114.378 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -77.56 -8.14 57.38 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.2 -19.08 61.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.731 1.612 . . . . 0.0 114.754 -169.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -62.91 -19.45 64.21 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.588 1.955 . . . . 0.0 115.336 170.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.05 171.93 53.66 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.929 1.252 . . . . 0.0 114.534 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.928 1.728 . . . . 0.0 112.908 -179.691 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 113.615 0.583 . . . . 0.0 113.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -160.82 -84.15 0.05 OUTLIER Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.447 1.022 . . . . 0.0 111.541 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.56 -30.16 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.287 1.035 . . . . 0.0 111.382 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 23.9 p -69.31 167.8 15.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.455 2.302 . . . . 0.0 113.445 170.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 111.99 -18.77 23.69 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.898 1.713 . . . . 0.0 114.763 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -86.36 -2.91 84.95 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.124 1.345 . . . . 0.0 114.43 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -158.19 177.31 34.94 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 127.797 2.618 . . . . 0.0 111.415 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -148.14 50.58 0.57 Allowed Glycine 0 N--CA 1.472 1.078 0 CA-C-N 117.881 0.841 . . . . 0.0 114.077 -172.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 58.49 -109.02 1.73 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.817 1.199 . . . . 0.0 112.092 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -9.54 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.34 -37.11 74.51 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.571 1.148 . . . . 0.0 110.344 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.45 135.78 30.63 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.645 1.578 . . . . 0.0 111.635 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -68.35 -26.53 35.09 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.447 2.764 . . . . 0.0 113.964 -170.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . 0.45 HE21 HD23 ' B' ' 365' ' ' LEU . 3.9 mm-40 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . 0.45 HD23 HE21 ' B' ' 362' ' ' GLN 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.423 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -57.65 -21.23 38.7 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.57 -36.42 82.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.589 1.556 . . . . 0.0 113.216 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -59.67 -37.65 79.35 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.273 1.429 . . . . 0.0 113.931 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.18 -163.45 30.47 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.537 1.065 . . . . 0.0 114.83 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 126.067 1.794 . . . . 0.0 112.333 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 1.004 0 CA-C-O 119.156 -0.435 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -165.97 173.14 41.53 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.053 . . . . 0.0 113.589 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 49.1 pt -73.61 168.06 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 113.044 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 34.7 m -64.5 163.39 13.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.438 1.495 . . . . 0.0 113.15 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -77.1 -8.55 86.93 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 77.62 -179.78 50.5 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.259 1.409 . . . . 0.0 114.371 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 73.12 -174.96 46.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.766 1.174 . . . . 0.0 114.455 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 177.9 178.31 47.32 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.458 1.504 . . . . 0.0 112.543 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -74.61 33.07 1.0 Allowed Glycine 0 N--CA 1.477 1.431 0 C-N-CA 125.796 1.665 . . . . 0.0 116.048 -175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.91 6.16 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 129.323 3.049 . . . . 0.0 112.389 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.97 -47.2 85.9 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.268 1.427 . . . . 0.0 111.779 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -97.63 151.39 37.59 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.509 1.124 . . . . 0.0 112.331 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.64 -30.25 42.53 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.194 2.596 . . . . 0.0 113.134 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -58.5 -21.85 53.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.29 -48.76 75.97 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.442 2.297 . . . . 0.0 112.334 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 54.62 -69.78 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 129.222 3.009 . . . . 0.0 115.224 -177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.74 67.78 3.32 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 126.352 1.93 . . . . 0.0 113.318 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 126.451 1.977 . . . . 0.0 112.438 178.816 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 CA--C 1.545 1.06 0 N-CA-C 116.423 1.663 . . . . 0.0 116.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.84 -0.69 35.35 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.891 1.517 . . . . 0.0 116.891 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 20.0 pt -48.96 113.31 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.238 1.815 . . . . 0.0 112.058 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.0 p 48.95 18.87 0.23 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.969 2.508 . . . . 0.0 116.489 -174.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -147.31 16.63 1.49 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 170.48 172.61 37.02 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-N 120.768 2.284 . . . . 0.0 116.812 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -165.32 172.39 40.88 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 127.173 2.321 . . . . 0.0 112.022 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 53.23 72.6 0.51 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.239 1.876 . . . . 0.0 116.715 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.44 -59.0 4.66 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.879 1.228 . . . . 0.0 112.908 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.8 25.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.762 2.025 . . . . 0.0 112.781 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.56 -6.65 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.652 2.781 . . . . 0.0 117.478 -169.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -135.53 142.59 41.7 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 119.712 1.142 . . . . 0.0 111.834 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.81 -27.32 31.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.645 2.897 . . . . 0.0 113.467 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -81.21 -12.46 59.14 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.27 151.96 46.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.157 0.983 . . . . 0.0 110.775 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -138.96 92.38 2.6 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.261 1.425 . . . . 0.0 111.191 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.14 7.66 88.23 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.956 1.265 . . . . 0.0 115.894 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.141 0 C-N-CA 125.717 1.627 . . . . 0.0 112.851 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.484 0.913 0 N-CA-C 113.217 0.429 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 85.33 -1.2 88.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 170.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.2 pt -69.17 164.6 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.724 1.262 . . . . 0.0 112.388 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 48.9 m -61.2 129.02 39.25 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.757 1.223 . . . . 0.0 112.288 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -115.94 172.47 14.23 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.645 1.593 . . . . 0.0 113.734 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 150.35 -174.18 29.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.45 1.5 . . . . 0.0 113.44 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 70.75 27.64 72.06 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.913 0.768 . . . . 0.0 114.647 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 140.5 167.91 11.2 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.863 1.697 . . . . 0.0 111.353 -169.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 69.63 -82.53 0.29 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.511 1.053 . . . . 0.0 110.531 -170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.1 pt -62.12 -10.98 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 40.1 mt -99.87 -11.99 20.25 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.52 1.528 . . . . 0.0 113.891 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -87.83 143.57 33.67 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.206 1.002 . . . . 0.0 112.279 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.41 -26.6 70.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.842 3.028 . . . . 0.0 114.408 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.514 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -72.04 -10.44 59.79 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -137.09 173.95 11.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.013 2.125 . . . . 0.0 112.346 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -61.57 -15.16 36.28 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.48 -13.71 5.63 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 126.272 1.892 . . . . 0.0 115.64 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.449 0 C-N-CA 125.947 1.737 . . . . 0.0 114.233 176.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo . . . . . 0 N--CA 1.487 1.12 0 N-CA-C 112.86 0.292 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -78.61 54.79 4.1 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.42 1.486 . . . . 0.0 114.334 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.05 94.86 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.0 1.72 . . . . 0.0 109.441 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 18.2 t -56.8 -34.86 68.08 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.143 1.377 . . . . 0.0 113.935 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -85.04 -0.42 88.95 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.824 1.202 . . . . 0.0 115.299 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -87.77 -14.21 63.5 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 118.869 1.335 . . . . 0.0 115.504 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 159.86 -174.22 36.65 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.803 1.301 . . . . 0.0 114.075 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 178.69 23.3 0.03 OUTLIER Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.122 1.344 . . . . 0.0 114.748 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 81.7 -85.89 1.42 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.562 1.553 . . . . 0.0 110.239 -170.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.2 pt -71.04 -0.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.63 1.172 . . . . 0.0 114.133 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 96.0 mt -114.9 5.91 15.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.775 2.03 . . . . 0.0 113.31 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.5 149.88 98.13 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.294 -0.879 . . . . 0.0 113.081 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.6 -26.86 46.18 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.406 2.737 . . . . 0.0 113.898 -172.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -60.36 -20.31 58.95 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.31 -11.14 38.76 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.559 1.943 . . . . 0.0 114.124 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -62.82 -16.94 60.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.395 1.478 . . . . 0.0 114.48 170.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.02 177.98 19.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.372 1.463 . . . . 0.0 114.083 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 C-N-CA 126.252 1.882 . . . . 0.0 113.452 179.681 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -77.08 51.64 3.23 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.394 1.474 . . . . 0.0 114.866 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.98 -179.81 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.185 1.794 . . . . 0.0 112.517 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 16.3 m -63.43 -7.01 5.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -158.71 169.65 35.12 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.963 1.268 . . . . 0.0 113.409 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -75.83 -30.66 57.41 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.919 -0.754 . . . . 0.0 114.668 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -64.38 94.4 0.16 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.061 1.791 . . . . 0.0 113.082 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.66 86.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.635 1.112 . . . . 0.0 114.167 -172.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -94.7 -76.61 1.33 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 125.633 1.587 . . . . 0.0 111.804 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.47 0.18 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.075 1.35 . . . . 0.0 113.963 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.7 4.29 9.85 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 128.746 2.818 . . . . 0.0 113.552 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -55.12 141.43 60.38 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 120.599 -1.313 . . . . 0.0 114.104 -171.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.65 -22.66 4.4 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 124.458 3.439 . . . . 0.0 114.104 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.514 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.514 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.32 -27.31 65.77 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -108.16 -3.26 18.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.649 1.98 . . . . 0.0 114.406 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.25 22.6 ptt180 45.8 -0.29 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 131.283 3.833 . . . . 0.0 119.777 176.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.26 179.59 48.0 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.941 1.734 . . . . 0.0 113.323 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 C-N-CA 125.494 1.521 . . . . 0.0 113.541 178.102 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.488 1.185 0 N-CA-C 113.921 0.7 . . . . 0.0 113.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -168.12 -176.41 38.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.297 1.427 . . . . 0.0 112.37 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 57.0 mt 52.06 -82.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 128.411 2.684 . . . . 0.0 112.804 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 29.4 m -64.76 -22.04 66.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.606 1.562 . . . . 0.0 113.606 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 76.89 -164.68 53.18 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.719 1.152 . . . . 0.0 114.322 176.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -166.06 175.95 41.5 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.436 1.493 . . . . 0.0 113.194 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.34 7.32 67.69 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.7 1.143 . . . . 0.0 115.85 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -168.51 174.42 43.22 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.468 1.985 . . . . 0.0 112.314 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.96 3.28 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.085 1.802 . . . . 0.0 112.803 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 19.9 pt -121.63 1.19 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 127.844 2.458 . . . . 0.0 112.801 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.92 20.29 3.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.262 2.225 . . . . 0.0 113.113 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.99 152.25 51.31 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 121.005 -1.059 . . . . 0.0 112.456 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.76 -29.33 83.1 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.337 2.691 . . . . 0.0 113.95 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.42 -10.09 59.2 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.43 -31.35 55.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.262 1.825 . . . . 0.0 113.492 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -55.23 -24.68 28.76 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.349 1.86 . . . . 0.0 114.019 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.35 60.49 0.07 OUTLIER Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.489 1.519 . . . . 0.0 114.317 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 CA-C-O 117.986 -1.452 . . . . 0.0 114.326 175.12 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.581 0.57 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 77.86 12.03 84.83 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.68 115.73 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.707 1.603 . . . . 0.0 110.625 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 38.9 t -149.26 157.12 43.08 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.802 1.641 . . . . 0.0 111.449 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -88.13 -6.67 74.72 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.08 1.324 . . . . 0.0 114.199 171.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -77.9 44.15 2.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.274 1.893 . . . . 0.0 115.01 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -62.77 -20.1 61.56 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.922 1.248 . . . . 0.0 115.326 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -111.25 14.8 28.08 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.388 1.947 . . . . 0.0 113.894 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.96 -71.52 2.18 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.679 1.609 . . . . 0.0 111.226 -169.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.61 88.18 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.661 2.384 . . . . 0.0 109.161 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 67.5 tp -82.78 -60.33 2.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.5 1.52 . . . . 0.0 112.547 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.71 152.18 82.89 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.303 1.041 . . . . 0.0 112.275 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.66 -29.45 77.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.94 2.426 . . . . 0.0 113.68 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.506 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -71.71 -16.91 62.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.91 137.64 57.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.501 1.92 . . . . 0.0 112.606 -173.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.71 170.74 16.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.911 1.685 . . . . 0.0 112.229 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.42 5.79 88.28 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.933 1.254 . . . . 0.0 115.813 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.803 1.668 . . . . 0.0 113.024 178.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.486 1.07 0 N-CA-C 111.576 -0.202 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -93.52 64.11 1.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.466 1.508 . . . . 0.0 112.534 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -20.44 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -172.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 52.2 p -65.48 -19.48 65.95 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.665 1.586 . . . . 0.0 114.295 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -136.59 7.59 3.94 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.994 1.759 . . . . 0.0 114.91 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.18 16.26 80.69 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.799 1.19 . . . . 0.0 114.932 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -74.13 158.48 51.99 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.92 1.248 . . . . 0.0 113.878 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 159.21 -169.92 35.47 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 121.754 -0.85 . . . . 0.0 113.244 -174.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 61.89 -103.86 0.64 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.001 1.286 . . . . 0.0 112.874 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -12.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.34 -40.63 67.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.899 1.28 . . . . 0.0 112.666 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -108.57 142.1 24.69 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.62 1.168 . . . . 0.0 112.599 -171.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.52 -17.21 23.79 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.861 3.041 . . . . 0.0 113.946 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 29' ' ' LYS . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 56' ' ' LEU . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 26' ' ' VAL . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 114.028 0.742 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 56' ' ' LEU . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 26' ' ' VAL . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 CA--C 1.538 0.707 0 N-CA-C 113.753 0.636 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD13 ' A' ' 15' ' ' LEU . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HA ' ' CD ' ' A' ' 72' ' ' ARG . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 61' ' ' ILE . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 56' ' ' LEU . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 40' ' ' GLN . 13.4 ptm180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.145 0.787 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.552 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 29' ' ' LYS . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 15' ' ' LEU . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 49' ' ' GLN . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HA ' HD13 ' A' ' 44' ' ' ILE . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 113.663 0.601 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.517 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 56' ' ' LEU . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' B' ' 362' ' ' GLN . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.534 0.502 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 362' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 70' ' ' VAL . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 113.371 0.489 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 61' ' ' ILE . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 56' ' ' LEU . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 CA--C 1.536 0.58 0 N-CA-C 113.436 0.514 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 70' ' ' VAL . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 56' ' ' LEU . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 26' ' ' VAL . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 8' ' ' LEU . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 CA--C 1.537 0.674 0 N-CA-C 113.014 0.351 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG21 HD21 ' A' ' 56' ' ' LEU . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 49' ' ' GLN . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 26' ' ' VAL . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 113.416 0.506 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 362' ' ' GLN . . . . . 0.43 HE22 HG13 ' A' ' 44' ' ' ILE . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 N-CA-C 113.23 0.435 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 49' ' ' GLN . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 58' ' ' ASP . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 7.4 ptp180 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 CA--C 1.53 0.318 0 N-CA-C 114.378 0.876 . . . . 0.0 114.378 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 56' ' ' LEU . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD13 ' A' ' 15' ' ' LEU . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.46 HH11 ' NE2' ' B' ' 362' ' ' GLN . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 26' ' ' VAL . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 113.964 0.717 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 362' ' ' GLN . . . . . 0.46 ' NE2' HH11 ' A' ' 42' ' ' ARG . 3.0 mm100 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 49' ' ' GLN . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 61' ' ' ILE . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 56' ' ' LEU . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 N-CA-C 113.134 0.398 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 56' ' ' LEU . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 61' ' ' ILE . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 56' ' ' LEU . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 113.467 0.526 . . . . 0.0 113.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 . . . . . 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 114.408 0.888 . . . . 0.0 114.408 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.535 0.569 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 44' ' ' ILE . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.536 0.582 0 N-CA-C 114.104 0.771 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.538 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 56' ' ' LEU . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 56' ' ' LEU . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 9.1 ptp180 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.537 0.63 0 N-CA-C 113.95 0.711 . . . . 0.0 113.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 26' ' ' VAL . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 26' ' ' VAL . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.537 0.651 0 N-CA-C 113.68 0.608 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 49' ' ' GLN . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 113.946 0.71 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 29' ' ' LYS . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 56' ' ' LEU . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 26' ' ' VAL . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.99 -11.38 13.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -118.05 11.24 13.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.343 2.657 . . . . 0.0 113.661 175.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 62.44 -59.6 0.13 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.233 3.013 . . . . 0.0 114.848 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 12.34 83.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.942 1.258 . . . . 0.0 115.956 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.869 1.7 . . . . 0.0 113.133 -178.579 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 N-CA-C 113.049 0.365 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.01 5.11 89.71 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 44.8 pt -69.18 170.12 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.551 1.54 . . . . 0.0 112.826 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 21.2 m 61.17 -173.65 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.515 1.926 . . . . 0.0 114.485 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -171.0 -172.8 37.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.611 1.577 . . . . 0.0 112.846 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.23 167.14 40.27 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.248 0.928 . . . . 0.0 114.166 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.21 -171.45 41.94 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.875 1.226 . . . . 0.0 113.504 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -157.65 -178.82 32.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.032 1.301 . . . . 0.0 112.613 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.77 39.92 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.634 1.112 . . . . 0.0 114.152 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.1 pt -63.79 -7.21 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.133 1.773 . . . . 0.0 115.372 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 16.4 tp -122.15 -2.02 9.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 112.806 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.4 146.55 93.14 Favored Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 120.379 -1.451 . . . . 0.0 112.184 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.4 -28.9 78.66 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.697 2.931 . . . . 0.0 114.028 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 56' ' ' LEU . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 26' ' ' VAL . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.29 -39.61 83.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -84.47 5.64 26.62 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.873 2.069 . . . . 0.0 114.371 173.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? 56.93 5.32 0.22 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.391 2.676 . . . . 0.0 115.921 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 11.41 85.3 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.954 1.264 . . . . 0.0 114.408 -171.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 C-N-CA 125.968 1.747 . . . . 0.0 113.295 -176.165 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 113.329 0.473 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -76.79 1.38 62.69 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.28 -13.89 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.754 1.621 . . . . 0.0 115.147 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 62.4 p -67.45 -18.68 65.18 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.67 1.588 . . . . 0.0 114.498 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -176.92 -58.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.045 1.307 . . . . 0.0 112.697 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.0 -46.7 1.82 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.68 2.086 . . . . 0.0 115.925 169.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -170.26 20.92 0.08 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.99 1.281 . . . . 0.0 115.11 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -173.85 -178.74 44.01 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.005 1.403 . . . . 0.0 114.088 -175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 64.77 -104.6 0.96 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.761 1.648 . . . . 0.0 111.578 -174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.75 -11.39 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 21.4 tp -121.63 18.46 11.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 129.04 2.936 . . . . 0.0 111.645 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.12 135.76 93.54 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 120.548 -1.345 . . . . 0.0 111.636 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.47 -31.79 6.85 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.847 3.031 . . . . 0.0 113.753 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD13 ' A' ' 15' ' ' LEU . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HA ' ' CD ' ' A' ' 72' ' ' ARG . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 61' ' ' ILE . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 56' ' ' LEU . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 40' ' ' GLN . 13.4 ptm180 -59.73 -17.06 31.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.43 -43.18 79.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.089 2.156 . . . . 0.0 111.115 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -87.97 -43.17 11.95 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.314 1.846 . . . . 0.0 112.186 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.8 34.8 1.64 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 126.653 2.073 . . . . 0.0 115.572 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.406 1.955 . . . . 0.0 112.523 -178.344 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.809 0.657 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -177.21 179.66 47.94 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.385 1.469 . . . . 0.0 112.402 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.57 -13.12 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 25.2 m -64.6 -24.94 67.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.054 1.342 . . . . 0.0 113.048 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -92.97 45.46 2.48 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.345 1.926 . . . . 0.0 112.557 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -70.91 -10.28 67.75 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.317 1.437 . . . . 0.0 116.496 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 171.89 177.25 41.36 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 119.091 1.445 . . . . 0.0 114.812 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.61 38.33 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.915 1.722 . . . . 0.0 112.998 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.44 -24.82 75.04 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.182 0.896 . . . . 0.0 115.211 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.16 14.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 127.644 2.378 . . . . 0.0 113.635 -174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.22 -28.53 69.75 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.924 2.089 . . . . 0.0 114.46 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.04 130.99 91.74 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 123.666 0.786 . . . . 0.0 112.309 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.13 -30.62 75.38 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.039 3.159 . . . . 0.0 114.145 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.552 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 29' ' ' LYS . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 15' ' ' LEU . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 49' ' ' GLN . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HA ' HD13 ' A' ' 44' ' ' ILE . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -58.46 -19.09 33.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.72 -28.15 69.4 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.332 2.253 . . . . 0.0 113.204 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 53.34 18.98 1.43 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.936 2.494 . . . . 0.0 115.012 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.54 -11.43 9.65 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.701 2.096 . . . . 0.0 115.018 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.119 -1.378 . . . . 0.0 113.43 177.416 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 CA--C 1.542 0.896 0 N-CA-C 113.451 0.52 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -151.32 175.6 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.421 1.486 . . . . 0.0 112.342 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 18.8 tt -55.43 -32.26 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.992 1.317 . . . . 0.0 114.188 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 7.5 t -65.83 -18.96 65.69 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.055 1.342 . . . . 0.0 114.047 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -116.67 -28.32 2.54 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.577 1.56 . . . . 0.0 114.569 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -85.15 -13.02 72.35 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.73 1.157 . . . . 0.0 115.201 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 51.18 -101.06 0.05 OUTLIER Glycine 0 CA--C 1.536 1.376 0 C-N-CA 126.404 1.954 . . . . 0.0 114.137 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -91.16 2.86 79.57 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.31 1.434 . . . . 0.0 115.385 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 82.22 -55.92 4.96 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.658 1.599 . . . . 0.0 112.515 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.85 6.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.378 1.871 . . . . 0.0 114.501 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.62 -49.08 78.96 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.366 1.866 . . . . 0.0 111.802 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -72.97 133.87 81.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.956 0.902 . . . . 0.0 112.896 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.12 -30.22 55.79 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.805 3.003 . . . . 0.0 113.663 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 56' ' ' LEU . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' B' ' 362' ' ' GLN . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -60.55 -18.74 54.34 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.88 -13.67 59.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.707 2.003 . . . . 0.0 113.516 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -123.44 -33.12 3.29 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.995 1.718 . . . . 0.0 113.188 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 -176.08 44.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.442 1.496 . . . . 0.0 113.428 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 C-N-CA 125.344 1.45 . . . . 0.0 112.954 179.527 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 CA--C 1.539 0.771 0 N-CA-C 113.433 0.513 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.29 -171.6 54.29 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.223 0.916 . . . . 0.0 114.167 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.18 176.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.517 1.527 . . . . 0.0 113.498 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 77.6 p -64.95 -4.84 5.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.71 23.57 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.597 1.57 . . . . 0.0 115.383 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -71.19 3.96 13.12 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.661 1.601 . . . . 0.0 116.278 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -152.3 173.77 31.36 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.452 1.977 . . . . 0.0 112.486 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 92.82 -78.56 1.14 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.388 0.994 . . . . 0.0 112.325 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.48 57.32 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.484 1.04 . . . . 0.0 114.352 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' ILE . . . . . 0.421 HD13 ' H ' ' B' ' 325' ' ' ILE . 0.2 OUTLIER -81.09 -1.76 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.163 1.385 . . . . 0.0 114.665 176.208 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.9 -6.61 12.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.36 1.864 . . . . 0.0 114.188 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -59.3 128.81 86.1 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.587 1.085 . . . . 0.0 112.098 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.22 -31.94 74.03 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 124.45 3.433 . . . . 0.0 114.009 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 362' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 70' ' ' VAL . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.57 -65.05 0.63 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.7 pt? -60.75 -24.03 65.41 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.131 2.172 . . . . 0.0 115.019 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.59 -25.3 62.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.689 1.196 . . . . 0.0 112.985 172.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.49 -2.2 90.58 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.436 1.493 . . . . 0.0 115.226 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.955 1.74 . . . . 0.0 112.944 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 113.248 0.442 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 173.03 177.38 42.26 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.65 1.119 . . . . 0.0 113.335 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.47 112.46 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.9 1.28 . . . . 0.0 109.936 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 68.8 m -69.53 88.3 0.49 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.139 1.376 . . . . 0.0 111.623 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.0 -2.71 66.29 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.157 1.361 . . . . 0.0 115.976 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 177.17 -174.48 47.06 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.534 1.54 . . . . 0.0 113.341 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 79.65 26.94 55.55 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 172.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -76.32 -4.43 79.39 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -172.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 77.76 -64.74 3.28 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.387 1.47 . . . . 0.0 112.826 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.03 2.59 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.039 1.736 . . . . 0.0 113.876 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.15 -23.26 66.44 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.29 2.236 . . . . 0.0 114.415 -170.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.19 135.83 93.67 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.748 0.819 . . . . 0.0 113.027 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.22 -31.29 53.95 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.663 2.909 . . . . 0.0 113.371 -170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 61' ' ' ILE . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 56' ' ' LEU . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -22.9 67.08 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD22 ' H ' ' A' ' 73' ' ' LEU . 1.9 mm? -56.57 -33.58 66.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 112.416 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -67.37 -12.43 60.18 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.514 1.926 . . . . 0.0 115.127 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.61 -1.01 0.02 OUTLIER Glycine 0 CA--C 1.538 1.525 0 N-CA-C 118.756 2.263 . . . . 0.0 118.756 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.271 0 CA-C-N 119.807 1.804 . . . . 0.0 113.149 -176.859 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 N-CA-C 113.487 0.534 . . . . 0.0 113.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 78.45 1.83 82.92 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 3.2 mp 66.29 -56.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 128.913 2.885 . . . . 0.0 112.629 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.6 p -143.33 174.72 10.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.562 1.945 . . . . 0.0 112.547 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -95.0 -126.48 4.82 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.359 1.456 . . . . 0.0 113.234 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.69 -174.44 7.65 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.901 1.715 . . . . 0.0 114.615 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -59.4 -19.75 48.45 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -92.27 6.32 78.32 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.338 1.446 . . . . 0.0 114.792 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.75 -51.99 4.36 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.672 2.082 . . . . 0.0 113.765 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 33.1 pt -121.45 18.12 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 127.609 2.364 . . . . 0.0 112.674 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.36 -33.69 74.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.832 2.453 . . . . 0.0 114.745 -170.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.03 142.05 89.51 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.96 1.704 . . . . 0.0 115.505 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.94 -26.35 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.55 2.833 . . . . 0.0 113.436 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 70' ' ' VAL . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 56' ' ' LEU . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 26' ' ' VAL . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 8' ' ' LEU . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -63.99 -14.32 53.1 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.88 10.76 6.01 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.524 1.929 . . . . 0.0 114.428 -173.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -62.81 -25.75 68.4 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.486 1.514 . . . . 0.0 115.024 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.33 15.87 80.06 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.572 0.989 . . . . 0.0 115.572 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 C-N-CA 126.306 1.908 . . . . 0.0 114.135 -179.323 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 N--CA 1.486 1.082 0 N-CA-C 112.754 0.251 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -83.25 52.74 4.78 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.41 1.481 . . . . 0.0 113.337 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 36.5 mt 44.19 -86.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 129.069 2.948 . . . . 0.0 112.838 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 20.4 m -63.43 -23.64 67.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.516 1.527 . . . . 0.0 113.707 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 165.51 -84.26 0.1 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.192 1.377 . . . . 0.0 112.354 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 69.88 6.03 54.47 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.192 1.377 . . . . 0.0 116.222 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.65 -166.87 39.64 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.482 1.515 . . . . 0.0 113.247 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 161.61 -32.78 0.35 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.151 1.358 . . . . 0.0 114.025 175.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -120.01 83.49 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 126.336 1.922 . . . . 0.0 110.795 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . 0.253 21.1 pt 40.11 38.59 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 129.07 2.948 . . . . 0.0 115.118 -172.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 57.1 tp -119.59 -4.87 10.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.457 2.303 . . . . 0.0 112.592 -173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 149.02 98.5 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.242 1.417 . . . . 0.0 113.382 -173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.4 -28.17 46.67 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.14 2.56 . . . . 0.0 113.014 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG21 HD21 ' A' ' 56' ' ' LEU . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 49' ' ' GLN . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 26' ' ' VAL . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.24 -8.8 57.62 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.09 114.75 8.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.815 2.046 . . . . 0.0 112.302 -171.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -131.67 -10.52 3.53 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.573 1.549 . . . . 0.0 114.964 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.0 -8.95 81.59 Favored Glycine 0 CA--C 1.539 1.545 0 N-CA-C 115.871 1.108 . . . . 0.0 115.871 -172.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 126.465 1.983 . . . . 0.0 112.403 -178.569 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 316' ' ' PRO . . . . . 0.602 ' N ' ' HG ' ' B' ' 319' ' ' SER . 73.0 Cg_exo . . . . . 0 CA--C 1.535 0.574 0 N-CA-C 112.877 0.299 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.97 -86.96 0.47 Allowed Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.98 1.276 . . . . 0.0 113.169 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.07 -23.65 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.571 1.549 . . . . 0.0 113.611 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 319' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' B' ' 316' ' ' PRO . 51.8 p -70.23 -8.38 49.56 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.956 1.702 . . . . 0.0 114.609 172.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 81.51 -54.81 4.82 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.915 1.722 . . . . 0.0 113.941 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 58.81 26.82 60.94 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.288 . . . . 0.0 114.914 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.67 -46.48 1.12 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.683 2.087 . . . . 0.0 114.112 -173.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -159.64 40.11 0.47 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.505 2.479 . . . . 0.0 111.857 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.99 -55.86 3.54 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 126.538 2.018 . . . . 0.0 113.681 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 40.4 pt -128.72 11.88 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 127.189 2.196 . . . . 0.0 113.489 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.07 -22.04 65.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.263 1.825 . . . . 0.0 115.047 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -64.49 136.37 96.74 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.164 -0.96 . . . . 0.0 112.695 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.34 -30.32 45.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.518 2.812 . . . . 0.0 113.416 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 362' ' ' GLN . . . . . 0.43 HE22 HG13 ' A' ' 44' ' ' ILE . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.79 -29.32 68.13 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp -66.55 -45.5 79.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 111.868 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -67.67 -38.73 84.15 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.563 1.945 . . . . 0.0 111.935 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.2 80.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.122 1.344 . . . . 0.0 112.882 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 CA-C-O 117.31 -1.828 . . . . 0.0 114.053 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.483 0.895 0 N-CA-C 112.884 0.301 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 127.04 -165.76 20.11 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.222 1.391 . . . . 0.0 113.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.7 pt -57.25 -20.57 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.114 1.766 . . . . 0.0 115.514 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 66.8 p -73.02 -12.43 60.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.906 1.282 . . . . 0.0 114.438 173.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 83.76 2.68 89.76 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.268 1.413 . . . . 0.0 114.655 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 176.11 -73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 CA-C-N 118.503 1.151 . . . . 0.0 112.895 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -149.13 173.48 29.0 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.708 1.623 . . . . 0.0 113.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 70.52 -179.88 28.82 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.341 0.972 . . . . 0.0 113.734 -170.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 62.34 62.79 5.26 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.933 1.254 . . . . 0.0 113.888 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 23.1 mt 54.52 71.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.094 1.758 . . . . 0.0 110.179 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -85.45 2.59 43.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.387 2.275 . . . . 0.0 115.017 -175.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.58 131.25 81.95 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 113.604 -169.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.03 -28.79 41.14 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.67 2.913 . . . . 0.0 113.23 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 49' ' ' GLN . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 58' ' ' ASP . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 7.4 ptp180 -64.97 -18.16 65.03 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.04 -41.41 90.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.925 1.29 . . . . 0.0 113.351 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -132.89 -60.95 0.85 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.357 1.244 . . . . 0.0 114.357 -170.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 1.55 90.25 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.582 1.563 . . . . 0.0 112.597 -179.058 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 113.353 0.482 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 161.19 -178.74 37.01 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.61 1.1 . . . . 0.0 113.474 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.1 pt -66.04 -9.67 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.653 1.581 . . . . 0.0 115.154 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 12.7 t -60.54 -32.59 71.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.306 1.442 . . . . 0.0 113.9 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 65.32 -155.47 49.33 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.123 0.868 . . . . 0.0 113.728 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 165.15 -16.78 0.1 OUTLIER Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 173.74 179.51 44.43 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.685 1.243 . . . . 0.0 113.671 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 176.66 -171.87 44.82 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.336 1.446 . . . . 0.0 112.052 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -51.6 -32.59 32.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.063 0.839 . . . . 0.0 114.248 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.71 -2.94 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 127.529 2.331 . . . . 0.0 116.26 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.7 tp -95.32 -19.67 19.78 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.419 1.888 . . . . 0.0 113.385 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.63 155.26 81.15 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.73 -23.32 63.21 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.511 3.474 . . . . 0.0 114.378 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 56' ' ' LEU . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD13 ' A' ' 15' ' ' LEU . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.46 HH11 ' NE2' ' B' ' 362' ' ' GLN . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 26' ' ' VAL . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -77.56 -8.14 57.38 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.2 -19.08 61.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.731 1.612 . . . . 0.0 114.754 -169.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -62.91 -19.45 64.21 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.588 1.955 . . . . 0.0 115.336 170.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.05 171.93 53.66 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.929 1.252 . . . . 0.0 114.534 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.928 1.728 . . . . 0.0 112.908 -179.691 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 113.615 0.583 . . . . 0.0 113.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -160.82 -84.15 0.05 OUTLIER Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.447 1.022 . . . . 0.0 111.541 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.56 -30.16 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.287 1.035 . . . . 0.0 111.382 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 23.9 p -69.31 167.8 15.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.455 2.302 . . . . 0.0 113.445 170.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 111.99 -18.77 23.69 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.898 1.713 . . . . 0.0 114.763 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -86.36 -2.91 84.95 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.124 1.345 . . . . 0.0 114.43 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -158.19 177.31 34.94 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 127.797 2.618 . . . . 0.0 111.415 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -148.14 50.58 0.57 Allowed Glycine 0 N--CA 1.472 1.078 0 CA-C-N 117.881 0.841 . . . . 0.0 114.077 -172.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 58.49 -109.02 1.73 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.817 1.199 . . . . 0.0 112.092 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -9.54 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.34 -37.11 74.51 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.571 1.148 . . . . 0.0 110.344 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.45 135.78 30.63 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.645 1.578 . . . . 0.0 111.635 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -68.35 -26.53 35.09 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.447 2.764 . . . . 0.0 113.964 -170.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 362' ' ' GLN . . . . . 0.46 ' NE2' HH11 ' A' ' 42' ' ' ARG . 3.0 mm100 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 49' ' ' GLN . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 61' ' ' ILE . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 56' ' ' LEU . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -57.65 -21.23 38.7 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.57 -36.42 82.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.589 1.556 . . . . 0.0 113.216 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -59.67 -37.65 79.35 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.273 1.429 . . . . 0.0 113.931 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.18 -163.45 30.47 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.537 1.065 . . . . 0.0 114.83 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 126.067 1.794 . . . . 0.0 112.333 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 1.004 0 CA-C-O 119.156 -0.435 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -165.97 173.14 41.53 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.053 . . . . 0.0 113.589 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 49.1 pt -73.61 168.06 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 113.044 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 34.7 m -64.5 163.39 13.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.438 1.495 . . . . 0.0 113.15 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -77.1 -8.55 86.93 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 77.62 -179.78 50.5 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.259 1.409 . . . . 0.0 114.371 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 73.12 -174.96 46.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.766 1.174 . . . . 0.0 114.455 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 177.9 178.31 47.32 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.458 1.504 . . . . 0.0 112.543 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -74.61 33.07 1.0 Allowed Glycine 0 N--CA 1.477 1.431 0 C-N-CA 125.796 1.665 . . . . 0.0 116.048 -175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.91 6.16 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 129.323 3.049 . . . . 0.0 112.389 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.97 -47.2 85.9 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.268 1.427 . . . . 0.0 111.779 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -97.63 151.39 37.59 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.509 1.124 . . . . 0.0 112.331 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.64 -30.25 42.53 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.194 2.596 . . . . 0.0 113.134 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 56' ' ' LEU . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 61' ' ' ILE . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 56' ' ' LEU . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -58.5 -21.85 53.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.29 -48.76 75.97 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.442 2.297 . . . . 0.0 112.334 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 54.62 -69.78 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 129.222 3.009 . . . . 0.0 115.224 -177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.74 67.78 3.32 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 126.352 1.93 . . . . 0.0 113.318 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 126.451 1.977 . . . . 0.0 112.438 178.816 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 CA--C 1.545 1.06 0 N-CA-C 116.423 1.663 . . . . 0.0 116.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.84 -0.69 35.35 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.891 1.517 . . . . 0.0 116.891 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 20.0 pt -48.96 113.31 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.238 1.815 . . . . 0.0 112.058 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.0 p 48.95 18.87 0.23 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.969 2.508 . . . . 0.0 116.489 -174.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -147.31 16.63 1.49 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 170.48 172.61 37.02 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-N 120.768 2.284 . . . . 0.0 116.812 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -165.32 172.39 40.88 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 127.173 2.321 . . . . 0.0 112.022 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 53.23 72.6 0.51 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.239 1.876 . . . . 0.0 116.715 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.44 -59.0 4.66 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.879 1.228 . . . . 0.0 112.908 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.8 25.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.762 2.025 . . . . 0.0 112.781 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.56 -6.65 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.652 2.781 . . . . 0.0 117.478 -169.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -135.53 142.59 41.7 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 119.712 1.142 . . . . 0.0 111.834 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.81 -27.32 31.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.645 2.897 . . . . 0.0 113.467 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -81.21 -12.46 59.14 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 73' ' ' LEU . 1.4 mm? -68.27 151.96 46.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.157 0.983 . . . . 0.0 110.775 177.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -138.96 92.38 2.6 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.261 1.425 . . . . 0.0 111.191 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.14 7.66 88.23 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.956 1.265 . . . . 0.0 115.894 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.141 0 C-N-CA 125.717 1.627 . . . . 0.0 112.851 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.484 0.913 0 N-CA-C 113.217 0.429 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 85.33 -1.2 88.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 170.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.2 pt -69.17 164.6 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.724 1.262 . . . . 0.0 112.388 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 48.9 m -61.2 129.02 39.25 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.757 1.223 . . . . 0.0 112.288 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -115.94 172.47 14.23 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.645 1.593 . . . . 0.0 113.734 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 150.35 -174.18 29.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.45 1.5 . . . . 0.0 113.44 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 70.75 27.64 72.06 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.913 0.768 . . . . 0.0 114.647 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 140.5 167.91 11.2 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.863 1.697 . . . . 0.0 111.353 -169.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 69.63 -82.53 0.29 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.511 1.053 . . . . 0.0 110.531 -170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.1 pt -62.12 -10.98 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 40.1 mt -99.87 -11.99 20.25 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.52 1.528 . . . . 0.0 113.891 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -87.83 143.57 33.67 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.206 1.002 . . . . 0.0 112.279 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.41 -26.6 70.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.842 3.028 . . . . 0.0 114.408 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 362' ' ' GLN . . . . . 0.58 HE21 HD13 ' B' ' 365' ' ' LEU . 3.2 mm-40 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 365' ' ' LEU . . . . . 0.58 HD13 HE21 ' B' ' 362' ' ' GLN . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -72.04 -10.44 59.79 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -137.09 173.95 11.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.013 2.125 . . . . 0.0 112.346 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -61.57 -15.16 36.28 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.48 -13.71 5.63 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 126.272 1.892 . . . . 0.0 115.64 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.449 0 C-N-CA 125.947 1.737 . . . . 0.0 114.233 176.859 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo . . . . . 0 N--CA 1.487 1.12 0 N-CA-C 112.86 0.292 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -78.61 54.79 4.1 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.42 1.486 . . . . 0.0 114.334 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.05 94.86 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.0 1.72 . . . . 0.0 109.441 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 18.2 t -56.8 -34.86 68.08 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.143 1.377 . . . . 0.0 113.935 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -85.04 -0.42 88.95 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.824 1.202 . . . . 0.0 115.299 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -87.77 -14.21 63.5 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 118.869 1.335 . . . . 0.0 115.504 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 159.86 -174.22 36.65 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.803 1.301 . . . . 0.0 114.075 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 178.69 23.3 0.03 OUTLIER Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.122 1.344 . . . . 0.0 114.748 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 81.7 -85.89 1.42 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.562 1.553 . . . . 0.0 110.239 -170.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.2 pt -71.04 -0.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.63 1.172 . . . . 0.0 114.133 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 96.0 mt -114.9 5.91 15.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.775 2.03 . . . . 0.0 113.31 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.5 149.88 98.13 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.294 -0.879 . . . . 0.0 113.081 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.6 -26.86 46.18 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.406 2.737 . . . . 0.0 113.898 -172.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 44' ' ' ILE . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -60.36 -20.31 58.95 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.31 -11.14 38.76 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.559 1.943 . . . . 0.0 114.124 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -62.82 -16.94 60.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.395 1.478 . . . . 0.0 114.48 170.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.02 177.98 19.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.372 1.463 . . . . 0.0 114.083 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 C-N-CA 126.252 1.882 . . . . 0.0 113.452 179.681 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -77.08 51.64 3.23 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.394 1.474 . . . . 0.0 114.866 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.98 -179.81 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.185 1.794 . . . . 0.0 112.517 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 16.3 m -63.43 -7.01 5.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -158.71 169.65 35.12 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.963 1.268 . . . . 0.0 113.409 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -75.83 -30.66 57.41 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.919 -0.754 . . . . 0.0 114.668 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -64.38 94.4 0.16 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.061 1.791 . . . . 0.0 113.082 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.66 86.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.635 1.112 . . . . 0.0 114.167 -172.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -94.7 -76.61 1.33 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 125.633 1.587 . . . . 0.0 111.804 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.47 0.18 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.075 1.35 . . . . 0.0 113.963 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.7 4.29 9.85 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 128.746 2.818 . . . . 0.0 113.552 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -55.12 141.43 60.38 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 120.599 -1.313 . . . . 0.0 114.104 -171.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.65 -22.66 4.4 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 124.458 3.439 . . . . 0.0 114.104 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.538 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 56' ' ' LEU . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 56' ' ' LEU . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 9.1 ptp180 -59.32 -27.31 65.77 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.4 pt? -108.16 -3.26 18.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.649 1.98 . . . . 0.0 114.406 -176.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.25 22.6 ptt180 45.8 -0.29 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 131.283 3.833 . . . . 0.0 119.777 176.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.26 179.59 48.0 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.941 1.734 . . . . 0.0 113.323 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 C-N-CA 125.494 1.521 . . . . 0.0 113.541 178.102 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.488 1.185 0 N-CA-C 113.921 0.7 . . . . 0.0 113.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -168.12 -176.41 38.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.297 1.427 . . . . 0.0 112.37 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 57.0 mt 52.06 -82.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 128.411 2.684 . . . . 0.0 112.804 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 29.4 m -64.76 -22.04 66.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.606 1.562 . . . . 0.0 113.606 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 76.89 -164.68 53.18 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.719 1.152 . . . . 0.0 114.322 176.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -166.06 175.95 41.5 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.436 1.493 . . . . 0.0 113.194 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.34 7.32 67.69 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.7 1.143 . . . . 0.0 115.85 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -168.51 174.42 43.22 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.468 1.985 . . . . 0.0 112.314 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.96 3.28 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.085 1.802 . . . . 0.0 112.803 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 19.9 pt -121.63 1.19 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 127.844 2.458 . . . . 0.0 112.801 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.92 20.29 3.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.262 2.225 . . . . 0.0 113.113 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.99 152.25 51.31 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 121.005 -1.059 . . . . 0.0 112.456 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.76 -29.33 83.1 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.337 2.691 . . . . 0.0 113.95 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 26' ' ' VAL . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 26' ' ' VAL . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.42 -10.09 59.2 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.43 -31.35 55.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.262 1.825 . . . . 0.0 113.492 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -55.23 -24.68 28.76 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.349 1.86 . . . . 0.0 114.019 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.35 60.49 0.07 OUTLIER Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.489 1.519 . . . . 0.0 114.317 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 CA-C-O 117.986 -1.452 . . . . 0.0 114.326 175.12 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.581 0.57 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 77.86 12.03 84.83 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.68 115.73 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.707 1.603 . . . . 0.0 110.625 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 38.9 t -149.26 157.12 43.08 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.802 1.641 . . . . 0.0 111.449 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -88.13 -6.67 74.72 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.08 1.324 . . . . 0.0 114.199 171.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -77.9 44.15 2.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.274 1.893 . . . . 0.0 115.01 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -62.77 -20.1 61.56 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.922 1.248 . . . . 0.0 115.326 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -111.25 14.8 28.08 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.388 1.947 . . . . 0.0 113.894 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.96 -71.52 2.18 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.679 1.609 . . . . 0.0 111.226 -169.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.61 88.18 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.661 2.384 . . . . 0.0 109.161 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 67.5 tp -82.78 -60.33 2.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.5 1.52 . . . . 0.0 112.547 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.71 152.18 82.89 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.303 1.041 . . . . 0.0 112.275 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.66 -29.45 77.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.94 2.426 . . . . 0.0 113.68 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 49' ' ' GLN . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -71.71 -16.91 62.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.91 137.64 57.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.501 1.92 . . . . 0.0 112.606 -173.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.71 170.74 16.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.911 1.685 . . . . 0.0 112.229 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.42 5.79 88.28 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.933 1.254 . . . . 0.0 115.813 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.803 1.668 . . . . 0.0 113.024 178.898 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.486 1.07 0 N-CA-C 111.576 -0.202 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -93.52 64.11 1.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.466 1.508 . . . . 0.0 112.534 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -20.44 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -172.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 52.2 p -65.48 -19.48 65.95 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.665 1.586 . . . . 0.0 114.295 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -136.59 7.59 3.94 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.994 1.759 . . . . 0.0 114.91 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.18 16.26 80.69 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.799 1.19 . . . . 0.0 114.932 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -74.13 158.48 51.99 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.92 1.248 . . . . 0.0 113.878 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 159.21 -169.92 35.47 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 121.754 -0.85 . . . . 0.0 113.244 -174.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 61.89 -103.86 0.64 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.001 1.286 . . . . 0.0 112.874 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -12.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.34 -40.63 67.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.899 1.28 . . . . 0.0 112.666 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -108.57 142.1 24.69 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.62 1.168 . . . . 0.0 112.599 -171.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.52 -17.21 23.79 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.861 3.041 . . . . 0.0 113.946 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 29' ' ' LYS . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 56' ' ' LEU . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 26' ' ' VAL . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 CA--C 1.535 0.527 0 N-CA-C 114.028 0.742 . . . . 0.0 114.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 56' ' ' LEU . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 26' ' ' VAL . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 CA--C 1.538 0.707 0 N-CA-C 113.753 0.636 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD13 ' A' ' 15' ' ' LEU . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HA ' ' CD ' ' A' ' 72' ' ' ARG . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 61' ' ' ILE . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 56' ' ' LEU . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 40' ' ' GLN . 13.4 ptm180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.536 0.617 0 N-CA-C 114.145 0.787 . . . . 0.0 114.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.552 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 29' ' ' LYS . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 15' ' ' LEU . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 49' ' ' GLN . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HA ' HD13 ' A' ' 44' ' ' ILE . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 113.663 0.601 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.517 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 56' ' ' LEU . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' B' ' 362' ' ' GLN . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.534 0.502 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 70' ' ' VAL . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 113.371 0.489 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 61' ' ' ILE . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 56' ' ' LEU . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 CA--C 1.536 0.58 0 N-CA-C 113.436 0.514 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 70' ' ' VAL . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 56' ' ' LEU . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 26' ' ' VAL . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 8' ' ' LEU . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 CA--C 1.537 0.674 0 N-CA-C 113.014 0.351 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG21 HD21 ' A' ' 56' ' ' LEU . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 49' ' ' GLN . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 26' ' ' VAL . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 113.416 0.506 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . 0.43 HE22 HG13 ' A' ' 44' ' ' ILE . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 N-CA-C 113.23 0.435 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 49' ' ' GLN . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 58' ' ' ASP . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 7.4 ptp180 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 CA--C 1.53 0.318 0 N-CA-C 114.378 0.876 . . . . 0.0 114.378 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 56' ' ' LEU . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD13 ' A' ' 15' ' ' LEU . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 26' ' ' VAL . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.615 0 N-CA-C 113.964 0.717 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . 0.637 HE21 HD21 ' B' ' 365' ' ' LEU . 3.9 mm-40 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . 0.637 HD21 HE21 ' B' ' 362' ' ' GLN 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 49' ' ' GLN . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 61' ' ' ILE . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 56' ' ' LEU . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.538 0.713 0 N-CA-C 113.134 0.398 . . . . 0.0 113.134 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 56' ' ' LEU . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 61' ' ' ILE . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 56' ' ' LEU . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.531 0.369 0 N-CA-C 113.467 0.526 . . . . 0.0 113.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . 0.435 HE21 HD13 ' B' ' 365' ' ' LEU . 7.1 mm-40 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . 0.435 HD13 HE21 ' B' ' 362' ' ' GLN . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 . . . . . 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo . . . . . 0 CA--C 1.535 0.53 0 N-CA-C 114.408 0.888 . . . . 0.0 114.408 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . 0.58 HE21 HD13 ' B' ' 365' ' ' LEU . 3.2 mm-40 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . 0.58 HD13 HE21 ' B' ' 362' ' ' GLN . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 . . . . . 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.535 0.569 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 44' ' ' ILE . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.536 0.582 0 N-CA-C 114.104 0.771 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.538 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 56' ' ' LEU . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 56' ' ' LEU . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 9.1 ptp180 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.537 0.63 0 N-CA-C 113.95 0.711 . . . . 0.0 113.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 26' ' ' VAL . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 26' ' ' VAL . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.537 0.651 0 N-CA-C 113.68 0.608 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 49' ' ' GLN . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 113.946 0.71 . . . . 0.0 113.946 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -135.84 165.82 24.74 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.71 1.604 . . . . 0.0 110.059 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.57 168.97 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.975 1.71 . . . . 0.0 110.224 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -125.31 149.48 48.03 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.458 1.503 . . . . 0.0 109.613 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.95 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.084 0.954 . . . . 0.0 110.456 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -117.65 121.24 40.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.744 1.218 . . . . 0.0 113.269 -168.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -67.34 162.59 22.54 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.237 -0.914 . . . . 0.0 112.934 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.7 -21.73 64.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.825 0.85 . . . . 0.0 112.728 169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.1 m -73.2 -44.58 59.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.072 1.349 . . . . 0.0 111.569 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 137.01 8.2 1.43 Allowed Glycine 0 CA--C 1.541 1.677 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 170.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.65 136.9 38.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.09 1.756 . . . . 0.0 111.012 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -105.13 115.87 31.0 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.422 1.489 . . . . 0.0 110.783 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.4 mm -88.51 158.53 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 127.289 2.236 . . . . 0.0 109.639 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.07 136.29 47.08 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.724 1.609 . . . . 0.0 109.447 171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 29' ' ' LYS . 95.4 mt -133.3 159.65 39.62 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.969 1.708 . . . . 0.0 112.719 -174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -113.05 107.13 15.53 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.687 1.595 . . . . 0.0 110.888 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.75 175.89 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 126.431 1.892 . . . . 0.0 112.146 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.43 160.92 19.28 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.183 2.193 . . . . 0.0 109.187 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -60.15 -14.58 17.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.707 -1.246 . . . . 0.0 113.947 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -93.3 -8.08 43.1 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.044 2.138 . . . . 0.0 113.71 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.29 137.81 58.06 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.481 1.037 . . . . 0.0 110.028 169.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 26' ' ' VAL . 82.7 p -78.11 163.92 25.44 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.367 0.603 . . . . 0.0 112.536 170.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -56.82 -44.06 81.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.288 1.035 . . . . 0.0 110.81 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.58 -48.39 66.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.597 1.159 . . . . 0.0 112.741 169.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.04 -33.39 75.93 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.305 1.042 . . . . 0.0 111.935 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 56' ' ' LEU . 67.7 t -69.32 -52.54 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 124.465 1.106 . . . . 0.0 110.668 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -48.77 -43.44 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.14 0.976 . . . . 0.0 112.043 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.2 m -63.11 -17.16 62.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.434 1.894 . . . . 0.0 113.658 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 15' ' ' LEU . 38.2 mmtm -81.97 -38.2 25.5 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.303 0.956 . . . . 0.0 112.412 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.56 -29.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.149 0.979 . . . . 0.0 111.57 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -62.19 -15.85 49.18 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.045 0.938 . . . . 0.0 113.044 175.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -85.15 -21.93 29.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.089 1.356 . . . . 0.0 113.203 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -103.49 -37.2 7.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.619 1.967 . . . . 0.0 112.937 -169.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -130.95 -24.47 2.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.251 1.82 . . . . 0.0 113.228 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.42 6.5 61.17 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.166 0.888 . . . . 0.0 114.759 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -66.98 119.6 65.38 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 110.227 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.36 129.03 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.98 2.453 . . . . 0.0 112.153 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.98 -3.96 8.02 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.759 2.972 . . . . 0.0 116.121 -175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.08 -17.28 22.99 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.076 1.307 . . . . 0.0 112.194 172.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -36.61 18.22 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.755 0.822 . . . . 0.0 112.938 176.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -88.0 157.12 19.0 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 122.496 1.141 . . . . 0.0 113.86 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -130.67 163.5 27.06 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 131.066 3.746 . . . . 0.0 108.331 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -120.0 152.48 37.42 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.439 1.018 . . . . 0.0 112.251 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mm -129.15 133.16 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.475 1.91 . . . . 0.0 110.665 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -141.58 138.46 32.66 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.857 1.263 . . . . 0.0 110.811 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.23 34.1 5.79 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.76 1.624 . . . . 0.0 113.224 -172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.41 -10.84 20.43 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 126.968 2.223 . . . . 0.0 115.586 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -86.91 130.71 34.35 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.844 1.658 . . . . 0.0 111.288 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.76 112.77 11.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.137 1.375 . . . . 0.0 111.243 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.3 mt -77.82 146.89 35.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.394 1.478 . . . . 0.0 112.652 -169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -92.85 137.12 32.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.039 1.336 . . . . 0.0 111.982 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.53 -38.8 75.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.705 1.602 . . . . 0.0 114.557 -170.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -3.3 90.57 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.714 1.15 . . . . 0.0 114.978 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -82.97 162.0 21.61 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.975 1.388 . . . . 0.0 111.697 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -94.53 175.67 6.58 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.028 1.331 . . . . 0.0 112.659 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 26' ' ' VAL . 80.7 mt -69.99 -41.98 73.69 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.483 -0.761 . . . . 0.0 109.958 169.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -55.49 -37.15 67.45 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.776 1.23 . . . . 0.0 113.535 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -26.96 61.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 113.967 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.6 14.35 23.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.153 0.981 . . . . 0.0 112.73 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 54.39 31.08 13.84 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.398 1.879 . . . . 0.0 113.196 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.57 138.15 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.925 1.69 . . . . 0.0 109.259 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -111.63 173.8 6.18 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.956 1.303 . . . . 0.0 111.171 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 147.09 52.92 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.322 -0.861 . . . . 0.0 109.842 169.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 55.93 19.03 3.34 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.373 1.869 . . . . 0.0 114.959 -175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -60.48 147.59 40.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.11 -0.994 . . . . 0.0 111.297 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.4 p -114.07 80.63 1.41 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.695 1.598 . . . . 0.0 111.432 -170.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 174.26 8.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.911 1.284 . . . . 0.0 111.079 -176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 31.0 m80 -126.22 156.73 39.8 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 111.84 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 147.03 45.72 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.534 1.134 . . . . 0.0 112.662 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.4 t -132.27 111.92 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.813 2.445 . . . . 0.0 110.253 -170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.48 131.96 35.21 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.808 -0.558 . . . . 0.0 111.837 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -61.99 -11.38 13.21 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.365 1.866 . . . . 0.0 115.338 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -118.05 11.24 13.28 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.343 2.657 . . . . 0.0 113.661 175.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 62.44 -59.6 0.13 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.233 3.013 . . . . 0.0 114.848 -174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 12.34 83.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.942 1.258 . . . . 0.0 115.956 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.869 1.7 . . . . 0.0 113.133 -178.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 N-CA-C 113.049 0.365 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.01 5.11 89.71 Favored Glycine 0 CA--C 1.539 1.584 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 44.8 pt -69.18 170.12 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.551 1.54 . . . . 0.0 112.826 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 21.2 m 61.17 -173.65 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.515 1.926 . . . . 0.0 114.485 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -171.0 -172.8 37.59 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.611 1.577 . . . . 0.0 112.846 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.23 167.14 40.27 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.248 0.928 . . . . 0.0 114.166 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.21 -171.45 41.94 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.875 1.226 . . . . 0.0 113.504 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -157.65 -178.82 32.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 125.032 1.301 . . . . 0.0 112.613 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.77 39.92 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.634 1.112 . . . . 0.0 114.152 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.1 pt -63.79 -7.21 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.133 1.773 . . . . 0.0 115.372 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 16.4 tp -122.15 -2.02 9.18 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 112.806 -173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.4 146.55 93.14 Favored Pre-proline 0 CA--C 1.549 0.922 0 O-C-N 120.379 -1.451 . . . . 0.0 112.184 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -62.4 -28.9 78.66 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.697 2.931 . . . . 0.0 114.028 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -58.69 -18.38 30.58 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.524 1.53 . . . . 0.0 114.736 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -126.89 -23.66 3.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 172.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -61.76 -30.87 71.08 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.707 1.203 . . . . 0.0 112.64 169.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -128.19 20.99 6.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.639 1.576 . . . . 0.0 113.905 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.9 -30.07 63.6 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.334 -1.478 . . . . 0.0 114.773 -171.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -63.47 -55.21 25.97 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.234 -0.916 . . . . 0.0 111.587 171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -61.53 -39.43 91.03 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.613 1.165 . . . . 0.0 112.627 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 80.8 mt -56.72 -49.84 73.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.253 1.021 . . . . 0.0 111.425 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -45.23 87.11 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.834 0.853 . . . . 0.0 112.282 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -63.18 -40.65 98.13 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.338 0.972 . . . . 0.0 112.4 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.96 -49.94 75.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.109 0.963 . . . . 0.0 111.942 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.21 -50.62 66.7 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.869 -0.52 . . . . 0.0 111.827 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -65.1 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.945 1.698 . . . . 0.0 112.686 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.8 mtm -74.53 -29.19 61.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.765 0.826 . . . . 0.0 112.874 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 144.61 7.44 0.46 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 116.953 1.541 . . . . 0.0 116.953 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.62 86.18 2.29 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.347 2.073 . . . . 0.0 111.167 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -79.63 -5.45 55.09 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -72.99 79.02 1.18 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.726 1.61 . . . . 0.0 111.973 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -48.14 -48.67 34.07 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.925 1.69 . . . . 0.0 113.586 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.24 -43.45 87.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 113.176 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -65.27 -45.54 84.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.727 0.811 . . . . 0.0 111.338 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -58.37 -46.81 85.58 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.853 0.861 . . . . 0.0 111.187 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.13 -52.35 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.707 1.203 . . . . 0.0 111.003 173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.65 -31.48 71.59 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.8 -45.57 35.38 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.726 1.611 . . . . 0.0 112.688 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.76 -35.86 81.97 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.112 -0.992 . . . . 0.0 111.919 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -56.87 -25.93 57.64 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.564 1.546 . . . . 0.0 114.822 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -110.69 -29.89 7.82 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.675 1.19 . . . . 0.0 113.226 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -67.29 -22.42 65.64 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.944 1.298 . . . . 0.0 113.995 171.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 88.03 14.71 62.15 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.856 1.217 . . . . 0.0 113.275 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.87 12.48 56.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.974 1.273 . . . . 0.0 114.516 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -75.6 127.18 32.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.664 1.232 . . . . 0.0 111.047 171.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.74 -59.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.523 1.129 . . . . 0.0 110.622 174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -66.14 -33.64 76.24 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.183 0.993 . . . . 0.0 112.732 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -61.75 -42.36 99.74 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.549 -0.72 . . . . 0.0 112.084 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.39 90.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.433 0.693 . . . . 0.0 112.183 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.77 -42.16 78.88 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.906 1.683 . . . . 0.0 113.294 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.61 -45.31 89.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.084 0.954 . . . . 0.0 112.263 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.4 m -64.91 -42.01 95.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.253 1.021 . . . . 0.0 112.439 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.73 -41.91 96.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.491 1.516 . . . . 0.0 112.515 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.1 -48.03 69.4 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.151 1.38 . . . . 0.0 112.184 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -70.76 -13.42 62.05 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.88 21.67 75.98 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 123.959 0.79 . . . . 0.0 113.809 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.96 -18.69 65.5 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.016 1.327 . . . . 0.0 112.82 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.09 0 C-N-CA 128.886 2.875 . . . . 0.0 111.393 169.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -133.07 163.23 29.71 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.896 -1.127 . . . . 0.0 110.721 169.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.1 168.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 126.474 1.91 . . . . 0.0 109.705 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.11 149.5 50.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.596 1.558 . . . . 0.0 110.06 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.3 128.01 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.702 0.801 . . . . 0.0 111.788 -175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 tmtp? -109.83 124.14 50.79 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.105 1.362 . . . . 0.0 113.658 -172.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.4 p -67.47 162.95 22.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.09 0.556 . . . . 0.0 111.589 169.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.94 -27.46 65.77 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.444 -0.785 . . . . 0.0 112.207 169.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -67.06 -39.57 86.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.801 1.64 . . . . 0.0 112.051 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.38 25.52 1.44 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 115.78 1.072 . . . . 0.0 115.78 173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -96.34 120.21 36.22 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.879 1.672 . . . . 0.0 110.37 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -90.16 112.52 24.04 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.759 1.223 . . . . 0.0 110.43 171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 mm -84.28 157.77 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.426 1.89 . . . . 0.0 108.937 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.24 134.37 45.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.499 1.519 . . . . 0.0 108.896 170.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.6 mt -130.89 157.05 43.96 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.614 1.566 . . . . 0.0 111.151 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -115.1 98.73 6.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.326 1.45 . . . . 0.0 110.947 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -130.53 177.19 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.546 1.939 . . . . 0.0 112.045 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -118.36 161.22 20.31 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.63 1.972 . . . . 0.0 110.479 171.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 m -54.53 -20.04 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.758 1.223 . . . . 0.0 113.751 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.7 m -96.12 -7.73 35.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.708 1.603 . . . . 0.0 113.549 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -66.28 142.75 57.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.577 1.081 . . . . 0.0 111.414 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -80.43 161.31 25.0 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -57.36 -42.15 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.037 0.935 . . . . 0.0 110.993 171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.26 -43.56 71.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.281 1.033 . . . . 0.0 112.979 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.5 -47.09 77.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.676 0.791 . . . . 0.0 111.195 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 56' ' ' LEU . 65.9 t -55.34 -53.97 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.54 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -49.78 -46.34 50.63 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.178 0.991 . . . . 0.0 111.931 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -64.37 -13.97 53.76 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.567 1.947 . . . . 0.0 113.878 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -89.58 -31.42 17.59 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.626 1.103 . . . . 0.0 111.692 176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.25 -34.06 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.664 1.12 . . . . 0.0 111.082 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -62.16 -15.72 47.94 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.418 -0.801 . . . . 0.0 113.1 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -83.28 -22.09 33.11 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.413 1.085 . . . . 0.0 113.346 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -102.15 -40.77 6.66 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.415 1.886 . . . . 0.0 112.716 -170.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -132.26 -23.34 2.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.703 1.601 . . . . 0.0 113.525 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.45 7.83 53.52 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.047 0.779 . . . . 0.0 115.047 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.0 mm -59.65 117.24 21.02 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.751 1.22 . . . . 0.0 111.06 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.17 121.41 8.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.692 2.261 . . . . 0.0 111.892 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -61.99 -16.9 52.86 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 123.783 2.989 . . . . 0.0 115.44 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.55 -17.32 42.2 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.81 -7.43 30.53 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.388 1.475 . . . . 0.0 113.903 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -110.71 152.71 26.23 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.812 1.291 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -123.85 158.28 32.21 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 130.08 3.352 . . . . 0.0 109.019 173.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.0 mt -123.13 145.23 48.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.409 1.083 . . . . 0.0 110.742 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.9 mm -129.2 120.93 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.871 1.268 . . . . 0.0 110.741 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -141.81 147.95 38.08 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.764 1.226 . . . . 0.0 111.378 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.9 29.94 1.81 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.523 1.529 . . . . 0.0 113.385 -171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 0.76 60.41 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.906 2.193 . . . . 0.0 115.972 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -99.4 138.03 37.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.91 2.084 . . . . 0.0 111.748 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.29 116.86 13.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.335 1.054 . . . . 0.0 109.667 169.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.04 126.99 31.64 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.015 1.326 . . . . 0.0 111.532 -173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -78.54 140.53 38.52 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.112 -0.993 . . . . 0.0 111.491 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -57.42 -38.27 74.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.68 -2.84 90.67 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.445 1.022 . . . . 0.0 114.868 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -78.85 165.71 23.23 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.391 . . . . 0.0 110.893 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -106.53 169.68 8.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.716 1.206 . . . . 0.0 110.901 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 26' ' ' VAL . 68.8 mt -59.12 -43.97 91.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.033 0.933 . . . . 0.0 111.444 170.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 t -56.2 -33.71 65.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.562 1.145 . . . . 0.0 113.557 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -26.85 67.95 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -107.22 12.81 27.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.023 1.329 . . . . 0.0 112.495 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.5 m120 57.59 25.46 11.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.96 2.104 . . . . 0.0 113.283 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.33 128.33 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.225 1.81 . . . . 0.0 109.359 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -103.44 173.99 6.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.923 1.289 . . . . 0.0 111.453 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 149.94 29.94 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.91 0.862 . . . . 0.0 111.338 169.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 55.73 21.4 4.64 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.901 2.08 . . . . 0.0 114.944 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -60.98 146.95 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.254 -0.904 . . . . 0.0 111.446 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 p -116.95 87.71 2.75 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.855 1.662 . . . . 0.0 111.392 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.31 172.68 7.95 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.867 1.267 . . . . 0.0 111.804 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -116.04 154.79 29.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.569 1.148 . . . . 0.0 111.516 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.86 147.78 43.6 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.091 1.357 . . . . 0.0 112.321 171.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.37 102.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.602 1.961 . . . . 0.0 110.24 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.5 124.14 23.13 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.812 -0.555 . . . . 0.0 110.751 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.29 -39.61 83.5 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.407 1.083 . . . . 0.0 113.551 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -84.47 5.64 26.62 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.873 2.069 . . . . 0.0 114.371 173.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? 56.93 5.32 0.22 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.391 2.676 . . . . 0.0 115.921 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.59 11.41 85.3 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.954 1.264 . . . . 0.0 114.408 -171.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 C-N-CA 125.968 1.747 . . . . 0.0 113.295 -176.165 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.481 0.791 0 N-CA-C 113.329 0.473 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -76.79 1.38 62.69 Favored Glycine 0 CA--C 1.536 1.399 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.28 -13.89 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.754 1.621 . . . . 0.0 115.147 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 62.4 p -67.45 -18.68 65.18 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.67 1.588 . . . . 0.0 114.498 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -176.92 -58.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.045 1.307 . . . . 0.0 112.697 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.0 -46.7 1.82 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 126.68 2.086 . . . . 0.0 115.925 169.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -170.26 20.92 0.08 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.99 1.281 . . . . 0.0 115.11 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -173.85 -178.74 44.01 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 119.005 1.403 . . . . 0.0 114.088 -175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 64.77 -104.6 0.96 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.761 1.648 . . . . 0.0 111.578 -174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.75 -11.39 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 21.4 tp -121.63 18.46 11.19 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 129.04 2.936 . . . . 0.0 111.645 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -61.12 135.76 93.54 Favored Pre-proline 0 CA--C 1.55 0.978 0 O-C-N 120.548 -1.345 . . . . 0.0 111.636 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.47 -31.79 6.85 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.847 3.031 . . . . 0.0 113.753 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -65.13 -19.3 65.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -171.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.01 -29.33 7.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 113.04 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -65.29 -35.37 80.82 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.163 1.385 . . . . 0.0 113.211 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -120.1 18.29 12.38 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.24 1.416 . . . . 0.0 113.99 -172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.06 -25.27 58.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.3 -58.58 4.18 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.068 -1.02 . . . . 0.0 110.925 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -60.08 -36.54 77.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.365 . . . . 0.0 113.065 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 74.8 mt -57.01 -50.83 71.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.69 1.196 . . . . 0.0 111.396 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -61.93 -38.33 88.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.103 0.961 . . . . 0.0 113.049 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -58.47 -55.25 37.5 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.972 0.805 . . . . 0.0 110.508 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.93 -44.04 77.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 113.153 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -52.94 -57.41 10.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.027 0.531 . . . . 0.0 111.833 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.46 -31.75 73.09 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.874 1.27 . . . . 0.0 113.597 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 40.8 mtp -66.4 -30.02 70.3 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.124 1.37 . . . . 0.0 112.241 172.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 149.98 8.26 0.15 Allowed Glycine 0 CA--C 1.538 1.481 0 N-CA-C 117.95 1.94 . . . . 0.0 117.95 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -119.33 82.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.821 2.31 . . . . 0.0 112.196 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -62.24 -19.15 62.89 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 121.264 -0.898 . . . . 0.0 113.204 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.64 76.31 0.11 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.192 2.597 . . . . 0.0 112.701 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -49.65 -45.24 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.463 1.905 . . . . 0.0 113.801 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -57.38 -40.77 78.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.11 1.364 . . . . 0.0 113.221 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -68.44 -44.68 74.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.849 0.859 . . . . 0.0 111.067 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -57.42 -45.58 84.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.315 0.646 . . . . 0.0 111.334 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.7 -53.66 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.806 1.243 . . . . 0.0 111.547 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.52 75.11 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.079 0.854 . . . . 0.0 112.653 -177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.91 -48.12 55.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.08 1.752 . . . . 0.0 112.896 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.08 -39.74 95.61 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.48 1.112 . . . . 0.0 112.135 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -55.77 -53.77 52.57 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.886 1.274 . . . . 0.0 112.939 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -72.06 -33.95 68.34 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 41.6 t -63.76 -37.78 88.63 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.709 1.204 . . . . 0.0 113.331 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.01 16.46 41.24 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.938 1.256 . . . . 0.0 113.974 -171.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.34 5.61 55.78 Favored Glycine 0 CA--C 1.534 1.225 0 N-CA-C 116.45 1.34 . . . . 0.0 116.45 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.0 t -73.22 128.46 35.54 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.713 1.756 . . . . 0.0 111.378 172.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 21.0 t -54.41 -52.85 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.968 0.907 . . . . 0.0 110.25 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -80.41 -24.24 39.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.12 -41.91 94.73 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 169.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.42 90.82 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.75 0.82 . . . . 0.0 112.128 169.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -55.15 -43.9 74.64 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.963 1.305 . . . . 0.0 112.92 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.38 -42.27 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.733 0.813 . . . . 0.0 112.842 173.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.7 m -63.7 -40.99 98.16 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.42 -0.8 . . . . 0.0 112.288 174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.19 -38.91 89.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.034 1.334 . . . . 0.0 112.527 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.13 -43.22 95.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.469 1.108 . . . . 0.0 112.035 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -69.6 -18.1 63.58 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.1 0.96 . . . . 0.0 113.478 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.62 75.85 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.507 1.051 . . . . 0.0 113.297 -173.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.33 -26.56 65.68 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.927 1.691 . . . . 0.0 113.824 -172.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 127.872 2.469 . . . . 0.0 114.973 -176.608 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.99 166.46 22.65 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.45 166.5 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.255 1.822 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.88 147.7 48.67 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.693 1.597 . . . . 0.0 109.887 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.74 125.06 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.057 0.943 . . . . 0.0 110.927 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -114.92 122.31 45.9 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.019 1.328 . . . . 0.0 113.241 -169.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -68.04 161.99 25.51 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.295 -0.878 . . . . 0.0 113.314 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.04 -27.63 68.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.552 0.741 . . . . 0.0 112.337 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.0 m -67.72 -45.33 75.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.896 1.278 . . . . 0.0 111.387 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 136.57 6.45 1.81 Allowed Glycine 0 CA--C 1.542 1.755 0 C-N-CA 125.414 1.483 . . . . 0.0 116.65 171.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.52 137.58 40.96 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.698 1.999 . . . . 0.0 110.8 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -106.57 117.87 35.19 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.892 1.277 . . . . 0.0 110.938 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 mm -91.19 157.11 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 127.105 2.162 . . . . 0.0 109.841 171.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -131.29 135.21 47.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.681 1.592 . . . . 0.0 109.314 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.9 mt -132.8 161.11 34.98 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.827 1.651 . . . . 0.0 112.138 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -117.14 100.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.661 1.584 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.05 176.76 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.314 1.846 . . . . 0.0 112.222 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -112.46 162.37 15.68 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.827 1.651 . . . . 0.0 109.607 169.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t -61.06 -17.36 52.01 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.182 -0.949 . . . . 0.0 112.869 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -98.55 -5.99 31.01 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.285 1.834 . . . . 0.0 113.66 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.78 154.79 38.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.605 1.093 . . . . 0.0 111.29 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.4 p -87.63 162.83 16.91 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -57.62 -42.41 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.116 -0.99 . . . . 0.0 110.7 170.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.24 -42.64 70.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.416 1.086 . . . . 0.0 112.944 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.72 -49.35 71.2 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.269 0.628 . . . . 0.0 110.898 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 81.5 t -52.69 -54.78 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.638 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -48.1 -47.48 34.27 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.177 0.991 . . . . 0.0 112.533 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -64.19 -18.63 64.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.608 1.563 . . . . 0.0 113.252 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD13 ' A' ' 15' ' ' LEU . 16.8 mmmt -85.16 -32.4 22.74 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.853 -1.154 . . . . 0.0 111.244 177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.95 -33.71 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.705 1.139 . . . . 0.0 111.45 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.55 -17.33 54.43 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.307 -0.87 . . . . 0.0 112.887 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -79.7 -22.03 43.91 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.026 -1.047 . . . . 0.0 113.167 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -101.25 -41.85 6.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.436 1.894 . . . . 0.0 112.55 -170.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -131.45 -16.86 3.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.334 1.454 . . . . 0.0 113.658 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.97 5.34 64.27 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.289 0.947 . . . . 0.0 114.993 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -63.61 119.27 52.44 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.816 1.646 . . . . 0.0 111.132 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.82 125.43 12.11 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.882 2.388 . . . . 0.0 112.87 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.26 -7.64 16.31 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.906 3.071 . . . . 0.0 116.076 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -90.87 -17.21 26.87 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.864 1.211 . . . . 0.0 112.173 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' HA ' ' CD ' ' A' ' 72' ' ' ARG . 1.4 mp0 -91.02 -39.6 12.12 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.55 0.74 . . . . 0.0 112.769 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -80.2 154.98 27.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 123.062 1.411 . . . . 0.0 114.246 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -128.42 162.94 25.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 131.467 3.907 . . . . 0.0 108.351 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -122.19 152.38 40.02 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.114 0.87 . . . . 0.0 111.469 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mm -131.84 126.31 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.667 1.587 . . . . 0.0 111.049 -176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -141.48 140.46 33.54 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.373 1.469 . . . . 0.0 110.401 169.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.63 32.47 3.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.447 1.499 . . . . 0.0 113.364 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.24 -5.63 33.53 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 127.202 2.334 . . . . 0.0 115.651 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -86.46 132.75 33.86 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.432 1.493 . . . . 0.0 111.34 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.15 108.43 6.04 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.886 1.674 . . . . 0.0 110.439 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -77.89 128.91 34.69 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.6 1.56 . . . . 0.0 112.574 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -82.4 142.93 31.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.728 1.211 . . . . 0.0 112.363 -173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -58.97 -39.98 83.38 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -169.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.74 -3.1 86.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.305 0.955 . . . . 0.0 114.788 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -78.41 168.44 19.8 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.652 1.581 . . . . 0.0 110.716 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.6 p -111.98 172.08 7.12 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.993 1.317 . . . . 0.0 111.659 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 61' ' ' ILE . 2.6 mm? -57.2 -46.24 83.06 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.465 0.706 . . . . 0.0 110.44 169.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.9 t -55.6 -34.56 64.95 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.373 1.469 . . . . 0.0 113.815 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -26.78 68.1 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -109.16 16.48 22.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 112.143 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . 0.271 0.6 OUTLIER 50.05 30.68 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 128.146 2.578 . . . . 0.0 114.255 -177.165 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 HD12 ' A' ' 56' ' ' LEU . 3.7 mm -54.18 124.58 7.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.395 1.878 . . . . 0.0 108.972 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.16 173.15 7.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.559 1.144 . . . . 0.0 110.532 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 158.69 14.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.197 -0.94 . . . . 0.0 110.786 169.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.258 8.8 pt-20 50.56 20.78 0.76 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.97 2.508 . . . . 0.0 115.541 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.3 m -63.19 151.03 41.49 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.188 0.995 . . . . 0.0 111.86 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 p -117.87 82.13 1.78 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.774 1.63 . . . . 0.0 111.707 -171.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.96 175.11 7.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.286 1.434 . . . . 0.0 111.403 -176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 30.8 m80 -122.98 156.81 34.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.028 0.931 . . . . 0.0 112.071 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.32 148.0 43.67 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.092 1.357 . . . . 0.0 112.447 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.9 t -132.03 109.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 127.382 2.273 . . . . 0.0 110.045 -171.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.07 124.72 27.51 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.689 -0.632 . . . . 0.0 111.082 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' CD ' ' HA ' ' A' ' 40' ' ' GLN . 13.4 ptm180 -59.73 -17.06 31.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 175.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.43 -43.18 79.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.089 2.156 . . . . 0.0 111.115 169.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -87.97 -43.17 11.95 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.314 1.846 . . . . 0.0 112.186 171.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.8 34.8 1.64 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 126.653 2.073 . . . . 0.0 115.572 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.406 1.955 . . . . 0.0 112.523 -178.344 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.809 0.657 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -177.21 179.66 47.94 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.385 1.469 . . . . 0.0 112.402 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.0 pp -61.57 -13.12 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 25.2 m -64.6 -24.94 67.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.054 1.342 . . . . 0.0 113.048 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -92.97 45.46 2.48 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.345 1.926 . . . . 0.0 112.557 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -70.91 -10.28 67.75 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.317 1.437 . . . . 0.0 116.496 -169.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 171.89 177.25 41.36 Favored Glycine 0 CA--C 1.534 1.248 0 CA-C-N 119.091 1.445 . . . . 0.0 114.812 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 168.74 175.61 38.33 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.915 1.722 . . . . 0.0 112.998 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.44 -24.82 75.04 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 124.182 0.896 . . . . 0.0 115.211 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.16 14.58 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 127.644 2.378 . . . . 0.0 113.635 -174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.22 -28.53 69.75 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.924 2.089 . . . . 0.0 114.46 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -61.04 130.99 91.74 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 123.666 0.786 . . . . 0.0 112.309 -177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.13 -30.62 75.38 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 124.039 3.159 . . . . 0.0 114.145 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.29 -15.53 48.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.548 1.539 . . . . 0.0 114.657 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -125.24 -26.89 3.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.214 1.405 . . . . 0.0 113.748 172.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.14 -34.1 77.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.499 1.12 . . . . 0.0 113.027 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.67 16.34 8.77 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.928 1.291 . . . . 0.0 114.129 -170.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.41 -25.46 64.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 -171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -68.28 -52.57 32.28 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.044 -1.035 . . . . 0.0 111.507 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -59.9 -39.68 86.21 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.365 1.466 . . . . 0.0 112.416 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.7 mt -55.94 -48.18 76.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.209 1.004 . . . . 0.0 111.65 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.61 -41.31 98.91 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.865 0.866 . . . . 0.0 112.997 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -58.21 -49.08 78.3 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.1 0.863 . . . . 0.0 111.299 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.05 -50.39 73.59 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.327 1.051 . . . . 0.0 112.195 174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -53.19 -55.95 20.26 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.176 0.591 . . . . 0.0 111.907 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.43 -24.95 64.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.86 0.864 . . . . 0.0 113.175 -173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 69.2 mtm -72.42 -28.09 62.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.429 0.692 . . . . 0.0 112.376 169.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 147.4 7.22 0.26 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 117.339 1.695 . . . . 0.0 117.339 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -112.83 85.46 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 120.667 2.234 . . . . 0.0 111.941 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -78.8 -6.17 55.28 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.05 87.1 2.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.172 1.789 . . . . 0.0 112.431 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.0 -57.02 11.75 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.936 1.294 . . . . 0.0 113.851 -173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.97 -35.15 79.2 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.381 -0.824 . . . . 0.0 112.754 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -63.96 -46.44 84.68 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.688 1.195 . . . . 0.0 111.335 174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -61.98 -43.53 98.64 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.411 1.084 . . . . 0.0 111.849 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.34 -50.34 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.987 0.915 . . . . 0.0 111.182 173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.4 96.99 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.438 0.563 . . . . 0.0 111.27 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.05 97.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.819 1.248 . . . . 0.0 112.575 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 45.9 mt -63.94 -34.06 77.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.348 1.059 . . . . 0.0 111.549 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -66.88 -32.26 73.41 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -66.55 -48.2 70.42 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.928 1.24 . . . . 0.0 110.696 169.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 39.6 t -64.6 -39.9 94.54 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.502 2.321 . . . . 0.0 114.103 -176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.4 11.55 55.61 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 125.331 1.443 . . . . 0.0 113.323 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 111.77 -1.29 27.42 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.121 1.819 . . . . 0.0 115.773 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 53.4 m -86.39 132.92 33.83 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.349 1.575 . . . . 0.0 112.41 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.4 t -54.23 -60.48 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.992 1.717 . . . . 0.0 112.212 -176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -66.68 -29.14 69.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.466 0.914 . . . . 0.0 113.466 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -64.45 -42.97 97.35 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.77 95.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.347 0.659 . . . . 0.0 111.975 170.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -41.8 85.46 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.074 1.35 . . . . 0.0 113.087 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.79 -43.75 97.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.824 0.85 . . . . 0.0 112.605 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 70.1 m -62.08 -42.64 99.41 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.769 0.828 . . . . 0.0 112.42 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.18 -44.63 94.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.785 1.634 . . . . 0.0 112.136 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 40.5 mt -63.23 -49.84 72.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.951 1.301 . . . . 0.0 112.53 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -68.34 -19.85 64.68 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.668 1.187 . . . . 0.0 113.852 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.78 61.59 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 123.883 0.754 . . . . 0.0 113.874 -175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.12 -23.24 66.45 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.362 1.065 . . . . 0.0 112.469 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.242 0 C-N-CA 128.755 2.822 . . . . 0.0 111.603 169.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.304 0.574 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -136.24 165.88 24.73 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.482 1.513 . . . . 0.0 110.135 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.81 167.94 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.393 1.877 . . . . 0.0 110.195 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -125.75 149.44 48.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.311 1.444 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.17 122.39 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.996 0.918 . . . . 0.0 111.268 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -114.44 118.61 34.3 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 112.524 -169.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -64.64 162.18 16.21 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 121.424 -0.797 . . . . 0.0 112.657 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.32 -33.33 75.28 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.548 -0.72 . . . . 0.0 111.556 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 m -66.82 -46.33 75.48 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.972 1.709 . . . . 0.0 112.045 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.552 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 140.65 8.14 0.83 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 117.909 1.924 . . . . 0.0 117.909 169.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -79.28 134.96 36.63 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.684 1.742 . . . . 0.0 111.151 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -102.36 115.42 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.2 1.4 . . . . 0.0 110.859 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 mm -90.11 158.89 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 127.091 2.157 . . . . 0.0 110.006 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.55 134.35 43.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.914 1.686 . . . . 0.0 108.881 172.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 29' ' ' LYS . 92.0 mt -130.97 155.29 47.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.088 1.755 . . . . 0.0 112.248 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -109.04 106.09 15.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.473 1.509 . . . . 0.0 110.471 176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.2 174.61 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.61 1.564 . . . . 0.0 112.185 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -110.97 162.24 15.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.762 1.625 . . . . 0.0 109.215 168.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -61.34 -16.53 47.01 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.994 -1.066 . . . . 0.0 113.327 173.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 p -100.12 -5.71 27.42 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.087 2.155 . . . . 0.0 113.951 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.25 156.35 34.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.484 1.038 . . . . 0.0 110.924 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -89.54 163.36 15.24 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.593 -0.692 . . . . 0.0 112.754 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -59.87 -41.16 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 120.941 -1.099 . . . . 0.0 109.943 170.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -52.26 -41.03 62.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.188 1.395 . . . . 0.0 113.315 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.21 -43.69 86.0 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.603 -0.686 . . . . 0.0 111.581 173.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.89 -57.01 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.063 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.17 68.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.203 0.91 . . . . 0.0 113.417 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -64.7 -23.54 67.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.563 1.145 . . . . 0.0 113.451 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HB3' HD22 ' A' ' 15' ' ' LEU . 23.3 mmtt -78.68 -35.77 44.64 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.505 -1.372 . . . . 0.0 112.481 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.5 mp -57.24 -29.38 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 119.099 0.863 . . . . 0.0 111.529 176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.03 -15.06 55.19 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.1 0.96 . . . . 0.0 112.785 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.7 -24.59 28.87 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.394 1.078 . . . . 0.0 113.052 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -99.67 -36.9 9.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.495 1.918 . . . . 0.0 112.813 -170.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -131.8 -22.5 2.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.201 1.8 . . . . 0.0 113.386 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.94 6.62 65.09 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.103 0.858 . . . . 0.0 114.717 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -67.59 123.99 88.15 Favored Pre-proline 0 N--CA 1.472 0.629 0 C-N-CA 125.165 1.386 . . . . 0.0 110.471 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.39 127.31 15.51 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.337 2.691 . . . . 0.0 112.177 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.13 -3.23 4.63 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.802 3.001 . . . . 0.0 116.307 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -92.66 -25.83 18.09 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.034 1.288 . . . . 0.0 112.297 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -81.34 -34.84 31.55 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.356 0.662 . . . . 0.0 112.705 175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -90.52 163.44 14.61 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -142.86 164.68 29.42 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 130.869 3.667 . . . . 0.0 109.106 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.36 152.16 35.52 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.78 1.232 . . . . 0.0 111.771 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 49' ' ' GLN . 31.8 mm -130.78 129.64 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 126.753 2.021 . . . . 0.0 111.074 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -144.1 142.92 30.89 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.216 1.406 . . . . 0.0 110.898 169.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.88 30.73 4.09 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.836 1.654 . . . . 0.0 113.688 -174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -4.91 37.58 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 127.041 2.258 . . . . 0.0 115.408 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -86.31 132.26 34.02 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.837 1.655 . . . . 0.0 110.487 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HA ' HD13 ' A' ' 44' ' ' ILE . 24.9 tt0 -76.07 115.52 15.86 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.823 0.849 . . . . 0.0 109.613 169.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -79.61 147.02 32.23 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.634 1.174 . . . . 0.0 111.715 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.81 141.26 31.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.399 1.08 . . . . 0.0 111.398 -175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.01 -38.37 79.08 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.879 1.671 . . . . 0.0 114.991 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.33 -4.07 89.9 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.428 1.013 . . . . 0.0 115.04 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.12 172.05 14.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.348 1.459 . . . . 0.0 111.408 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -110.94 171.63 7.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.998 1.319 . . . . 0.0 112.107 169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.45 -47.62 83.41 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.711 0.804 . . . . 0.0 110.539 169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -58.22 -29.95 66.11 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.602 1.161 . . . . 0.0 113.496 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.01 -35.48 71.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.397 1.079 . . . . 0.0 113.624 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -102.99 13.63 33.87 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.376 1.07 . . . . 0.0 111.937 177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.84 31.97 18.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.001 2.12 . . . . 0.0 112.963 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mm -55.58 138.45 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 125.464 1.506 . . . . 0.0 109.266 173.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -114.41 176.59 4.98 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.437 1.495 . . . . 0.0 111.316 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 146.12 53.94 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.206 -0.933 . . . . 0.0 110.571 169.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 56.61 18.69 3.77 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.611 1.964 . . . . 0.0 114.863 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 m -59.94 144.9 47.81 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.346 -0.846 . . . . 0.0 111.171 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -112.38 85.26 2.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.639 1.576 . . . . 0.0 111.123 -171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.86 174.16 7.39 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.243 . . . . 0.0 111.015 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -124.71 153.89 41.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.611 0.764 . . . . 0.0 111.111 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.9 150.65 39.52 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.57 1.148 . . . . 0.0 112.312 173.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -129.14 139.23 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 127.897 2.479 . . . . 0.0 108.469 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.76 137.48 51.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.224 1.01 . . . . 0.0 111.236 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -58.46 -19.09 33.94 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 125.002 1.321 . . . . 0.0 114.522 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.72 -28.15 69.4 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.332 2.253 . . . . 0.0 113.204 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.3 mtm-85 53.34 18.98 1.43 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.936 2.494 . . . . 0.0 115.012 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.54 -11.43 9.65 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 126.701 2.096 . . . . 0.0 115.018 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.119 -1.378 . . . . 0.0 113.43 177.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo . . . . . 0 CA--C 1.542 0.896 0 N-CA-C 113.451 0.52 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -151.32 175.6 30.14 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.421 1.486 . . . . 0.0 112.342 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 18.8 tt -55.43 -32.26 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 124.992 1.317 . . . . 0.0 114.188 -172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 7.5 t -65.83 -18.96 65.69 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.055 1.342 . . . . 0.0 114.047 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -116.67 -28.32 2.54 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.577 1.56 . . . . 0.0 114.569 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -85.15 -13.02 72.35 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.73 1.157 . . . . 0.0 115.201 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 51.18 -101.06 0.05 OUTLIER Glycine 0 CA--C 1.536 1.376 0 C-N-CA 126.404 1.954 . . . . 0.0 114.137 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -91.16 2.86 79.57 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.31 1.434 . . . . 0.0 115.385 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 82.22 -55.92 4.96 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.658 1.599 . . . . 0.0 112.515 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.85 6.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.378 1.871 . . . . 0.0 114.501 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.62 -49.08 78.96 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.366 1.866 . . . . 0.0 111.802 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -72.97 133.87 81.53 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.956 0.902 . . . . 0.0 112.896 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.12 -30.22 55.79 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.805 3.003 . . . . 0.0 113.663 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -60.52 -20.18 59.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.456 1.502 . . . . 0.0 114.677 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.12 -24.92 5.87 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.639 1.176 . . . . 0.0 113.654 172.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -58.28 -35.37 71.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.778 1.231 . . . . 0.0 112.928 171.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -122.85 22.89 9.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.608 1.563 . . . . 0.0 113.402 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -58.92 2.69 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.077 1.751 . . . . 0.0 114.228 -175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -47.55 55.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.513 1.125 . . . . 0.0 112.738 174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -68.4 -42.28 79.26 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.711 1.205 . . . . 0.0 112.23 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 40.3 mt -55.37 -47.79 75.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.383 1.473 . . . . 0.0 110.878 171.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -63.83 -43.16 97.05 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.057 1.343 . . . . 0.0 112.495 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -56.98 -55.0 40.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 173.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.0 mt -53.77 -45.95 70.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.901 0.773 . . . . 0.0 112.58 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -54.79 -55.88 25.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.409 0.55 . . . . 0.0 112.053 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -58.71 -35.29 72.42 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.982 1.313 . . . . 0.0 112.741 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.1 mtp -70.77 -24.14 62.54 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.915 1.686 . . . . 0.0 112.497 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 141.28 7.7 0.78 Allowed Glycine 0 CA--C 1.538 1.499 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -111.76 85.5 2.15 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.485 2.143 . . . . 0.0 111.808 -171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -74.4 -6.49 48.48 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -73.71 78.58 1.54 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.695 1.598 . . . . 0.0 111.872 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -53.89 -43.61 69.77 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.317 1.047 . . . . 0.0 113.068 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.8 -38.55 91.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.711 1.204 . . . . 0.0 113.489 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -68.99 -42.0 77.09 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.56 -0.712 . . . . 0.0 111.623 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -59.65 -44.85 93.39 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.151 0.58 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.9 -55.76 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 171.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.22 86.24 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.65 0.659 . . . . 0.0 112.635 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.54 83.17 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.05 1.74 . . . . 0.0 112.422 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.81 -34.61 78.31 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.451 1.1 . . . . 0.0 111.652 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -64.17 -32.62 74.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.106 0.963 . . . . 0.0 113.415 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -66.02 -50.08 65.48 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.833 1.197 . . . . 0.0 110.267 169.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 32.8 t -65.82 -36.67 84.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.377 2.271 . . . . 0.0 114.137 -172.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.5 15.73 49.15 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.076 1.322 . . . . 0.0 113.174 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 105.56 3.9 40.33 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.556 1.55 . . . . 0.0 115.891 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.1 m -92.03 128.76 37.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.234 1.517 . . . . 0.0 112.262 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.1 t -51.38 -56.55 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.36 1.864 . . . . 0.0 112.541 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -69.41 -25.98 64.4 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.1 -38.06 63.71 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.276 -0.89 . . . . 0.0 111.808 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.15 91.61 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.986 -0.714 . . . . 0.0 111.406 169.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -46.69 82.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.774 1.63 . . . . 0.0 112.501 174.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.52 -41.33 89.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 112.535 172.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 55.7 m -64.0 -43.3 96.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.898 0.879 . . . . 0.0 112.585 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.55 -48.31 82.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.719 1.607 . . . . 0.0 112.118 173.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.69 -41.35 96.1 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 113.119 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -67.35 -19.55 65.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.652 1.181 . . . . 0.0 113.077 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.46 22.37 64.94 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.675 1.131 . . . . 0.0 114.206 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.22 -34.24 77.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.949 0.9 . . . . 0.0 112.311 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.251 1.146 0 C-N-CA 127.359 2.264 . . . . 0.0 112.1 173.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.09 0.471 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -139.85 166.5 24.46 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.295 1.038 . . . . 0.0 110.314 169.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.84 168.96 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.167 2.187 . . . . 0.0 109.762 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -127.33 150.1 49.74 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.99 1.716 . . . . 0.0 109.844 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.65 128.07 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.678 0.791 . . . . 0.0 111.486 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -115.05 123.7 49.7 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.283 1.433 . . . . 0.0 112.956 -169.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -68.66 165.1 20.07 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.572 -0.705 . . . . 0.0 112.425 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.39 -26.75 63.84 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.519 -0.738 . . . . 0.0 112.738 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 m -71.55 -38.27 71.02 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.424 1.49 . . . . 0.0 111.808 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 12.65 1.94 Allowed Glycine 0 CA--C 1.539 1.548 0 N-CA-C 116.535 1.374 . . . . 0.0 116.535 170.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -82.52 133.92 35.2 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.021 2.128 . . . . 0.0 110.507 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -109.64 113.04 25.48 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.323 1.449 . . . . 0.0 110.513 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.99 156.67 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.399 2.28 . . . . 0.0 110.031 170.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -133.79 132.63 40.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.683 1.593 . . . . 0.0 109.601 171.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.9 mt -131.99 136.32 47.2 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.651 1.58 . . . . 0.0 111.941 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -92.66 95.59 9.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.768 1.227 . . . . 0.0 110.811 175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.2 m -122.24 175.93 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.141 1.776 . . . . 0.0 111.681 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -115.73 165.32 13.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.125 1.37 . . . . 0.0 110.573 169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.4 p -59.24 -18.8 40.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 m -98.55 -6.6 29.79 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.95 1.7 . . . . 0.0 113.783 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.21 162.16 20.51 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.539 1.063 . . . . 0.0 111.533 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -100.33 161.96 13.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.994 0.917 . . . . 0.0 113.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.54 -41.68 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.15 0.98 . . . . 0.0 111.07 173.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -54.79 -43.54 72.94 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.375 1.07 . . . . 0.0 112.768 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.85 -49.19 71.52 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.403 0.681 . . . . 0.0 110.864 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 56' ' ' LEU . 90.9 t -52.52 -55.42 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.629 0.772 . . . . 0.0 110.755 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -47.63 -48.06 28.74 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 0.0 112.286 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -65.79 -15.17 62.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.596 1.559 . . . . 0.0 113.556 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -87.69 -27.78 22.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.591 1.087 . . . . 0.0 111.42 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.17 -33.76 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 120.266 1.394 . . . . 0.0 110.177 169.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -63.54 -19.26 64.64 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.316 -0.865 . . . . 0.0 112.624 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -79.34 -26.61 42.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.62 1.168 . . . . 0.0 112.287 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -93.38 -49.98 5.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.796 1.238 . . . . 0.0 112.135 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -134.06 -17.66 2.11 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.667 1.187 . . . . 0.0 113.755 -175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 8.36 30.31 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.596 1.398 . . . . 0.0 116.596 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mm -61.37 117.31 25.84 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 118.734 1.267 . . . . 0.0 111.323 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -66.51 123.79 11.58 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.822 2.348 . . . . 0.0 112.185 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.73 -15.87 51.41 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.836 3.024 . . . . 0.0 115.299 -173.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -74.37 -30.55 62.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.351 1.061 . . . . 0.0 112.627 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -93.68 -10.58 33.98 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.091 1.356 . . . . 0.0 113.806 -174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -109.9 155.09 22.16 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -125.74 163.29 23.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 129.513 3.125 . . . . 0.0 108.596 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -121.92 152.42 39.67 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.284 1.034 . . . . 0.0 111.671 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 mm -131.31 130.61 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.849 1.66 . . . . 0.0 111.196 -177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -142.46 142.4 32.31 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.285 1.434 . . . . 0.0 112.051 169.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.41 27.86 1.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.348 1.859 . . . . 0.0 113.477 -169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.76 -6.53 54.14 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.101 1.81 . . . . 0.0 116.016 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.66 138.46 31.64 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 110.959 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -79.77 124.45 28.62 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.001 0.92 . . . . 0.0 110.931 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -89.82 133.57 34.65 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.996 1.318 . . . . 0.0 111.753 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -90.05 144.01 26.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.659 1.184 . . . . 0.0 112.095 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.31 -40.26 81.58 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.956 1.702 . . . . 0.0 115.478 -169.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.84 -3.54 87.67 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.211 0.91 . . . . 0.0 114.831 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -80.7 165.81 21.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.916 1.286 . . . . 0.0 111.354 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -101.84 170.65 8.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.063 1.345 . . . . 0.0 111.832 169.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 26' ' ' VAL . 2.6 mm? -60.39 -46.97 88.06 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.413 0.685 . . . . 0.0 110.091 169.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.0 p -58.18 -25.93 62.15 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.87 -37.91 80.66 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.822 1.249 . . . . 0.0 113.213 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.49 13.63 33.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t30 57.55 28.45 15.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.273 2.229 . . . . 0.0 113.088 -177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.83 119.98 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.488 1.515 . . . . 0.0 109.492 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -93.0 173.32 7.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.717 1.207 . . . . 0.0 110.728 172.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 158.76 14.38 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.278 -0.888 . . . . 0.0 111.236 169.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.257 10.2 pt-20 49.41 22.43 0.71 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.175 2.59 . . . . 0.0 115.352 -177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -64.26 152.73 40.19 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.272 1.029 . . . . 0.0 111.899 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -120.12 91.26 3.5 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.596 1.558 . . . . 0.0 111.369 -173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.95 174.17 6.49 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.38 1.472 . . . . 0.0 111.924 -173.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -117.68 154.34 31.81 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.858 1.263 . . . . 0.0 111.696 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.2 148.12 44.68 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.954 1.302 . . . . 0.0 112.518 170.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG13 ' HG3' ' B' ' 362' ' ' GLN . 97.8 t -132.08 104.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.918 2.087 . . . . 0.0 110.747 -169.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.74 130.55 39.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.701 0.8 . . . . 0.0 111.588 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -60.55 -18.74 54.34 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.532 1.133 . . . . 0.0 113.993 172.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.88 -13.67 59.97 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.707 2.003 . . . . 0.0 113.516 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -123.44 -33.12 3.29 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.995 1.718 . . . . 0.0 113.188 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.57 -176.08 44.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.442 1.496 . . . . 0.0 113.428 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 C-N-CA 125.344 1.45 . . . . 0.0 112.954 179.527 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 CA--C 1.539 0.771 0 N-CA-C 113.433 0.513 . . . . 0.0 113.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 80.29 -171.6 54.29 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.223 0.916 . . . . 0.0 114.167 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.18 176.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.517 1.527 . . . . 0.0 113.498 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 77.6 p -64.95 -4.84 5.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -170.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 113.3 4.71 23.57 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.597 1.57 . . . . 0.0 115.383 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -71.19 3.96 13.12 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 125.661 1.601 . . . . 0.0 116.278 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -152.3 173.77 31.36 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.452 1.977 . . . . 0.0 112.486 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 92.82 -78.56 1.14 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.388 0.994 . . . . 0.0 112.325 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.48 57.32 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.484 1.04 . . . . 0.0 114.352 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . 0.421 HD13 ' H ' ' B' ' 325' ' ' ILE . 0.2 OUTLIER -81.09 -1.76 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.163 1.385 . . . . 0.0 114.665 176.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 77.3 mt -115.9 -6.61 12.03 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.36 1.864 . . . . 0.0 114.188 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -59.3 128.81 86.1 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.587 1.085 . . . . 0.0 112.098 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -63.22 -31.94 74.03 Favored 'Trans proline' 0 CA--C 1.534 0.502 0 C-N-CA 124.45 3.433 . . . . 0.0 114.009 -169.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.71 -14.05 28.29 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.42 1.488 . . . . 0.0 114.846 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.15 1.38 . . . . 0.0 113.42 169.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -66.5 -31.99 73.06 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.972 1.309 . . . . 0.0 113.131 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -126.5 14.76 7.65 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.558 1.543 . . . . 0.0 114.016 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.6 -34.93 65.28 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.201 -1.562 . . . . 0.0 115.179 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -59.23 -54.7 43.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.762 0.825 . . . . 0.0 111.382 172.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -62.58 -39.62 94.3 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.397 1.479 . . . . 0.0 112.23 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.2 mt -57.08 -52.87 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.895 1.278 . . . . 0.0 111.483 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -58.75 -42.62 89.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.77 1.228 . . . . 0.0 112.654 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -61.08 -47.08 87.96 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.116 0.966 . . . . 0.0 111.475 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.45 -49.34 78.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.905 0.882 . . . . 0.0 112.321 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -50.55 -47.92 57.56 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.462 -0.774 . . . . 0.0 111.834 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.85 -26.87 68.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.177 1.391 . . . . 0.0 114.111 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 56.5 mtt -67.42 -23.24 65.52 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.36 -0.838 . . . . 0.0 112.686 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.93 1.27 7.52 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 126.025 1.774 . . . . 0.0 115.183 -170.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -90.89 69.94 6.44 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.833 2.316 . . . . 0.0 110.772 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -67.45 -13.57 62.15 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -73.1 80.48 1.25 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.165 1.786 . . . . 0.0 111.97 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -50.34 -46.23 55.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.785 1.634 . . . . 0.0 113.206 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -60.2 -36.51 77.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.51 1.124 . . . . 0.0 113.332 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -66.17 -46.88 75.82 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.483 0.713 . . . . 0.0 111.358 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.02 -45.8 89.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.806 0.842 . . . . 0.0 110.825 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 43.3 t -54.0 -54.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.345 1.058 . . . . 0.0 111.218 171.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -63.78 -24.06 67.61 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -85.53 -44.29 12.8 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.307 1.443 . . . . 0.0 113.371 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.65 -33.56 75.28 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.934 -1.104 . . . . 0.0 111.971 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -56.78 -22.52 36.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.164 1.386 . . . . 0.0 114.438 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -94.78 -45.6 7.25 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.868 1.667 . . . . 0.0 110.261 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 19.5 p -69.17 -20.28 64.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.324 1.449 . . . . 0.0 113.964 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.1 57.32 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.173 1.368 . . . . 0.0 112.842 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 90.78 10.68 62.81 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.088 1.327 . . . . 0.0 114.231 -173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 75.3 m -78.57 115.48 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.918 1.359 . . . . 0.0 111.188 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.84 -51.73 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.409 1.483 . . . . 0.0 112.201 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 70' ' ' VAL . 19.4 mm100 -82.27 -20.84 36.73 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.25 -30.26 76.42 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 123.713 0.673 . . . . 0.0 112.522 169.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.7 69.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 20.6 mt -56.62 -37.44 70.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.176 0.898 . . . . 0.0 112.364 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.57 -44.26 76.7 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.498 0.719 . . . . 0.0 112.872 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 65.7 m -77.35 -39.27 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.79 -48.89 78.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.394 1.078 . . . . 0.0 112.583 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.65 -43.33 84.92 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.149 1.78 . . . . 0.0 112.264 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.83 -16.58 63.82 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.892 0.877 . . . . 0.0 113.242 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.33 15.13 81.42 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.528 1.061 . . . . 0.0 114.357 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.1 -30.83 63.93 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.153 0.977 . . . . 0.0 112.787 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.091 0 C-N-CA 125.634 1.574 . . . . 0.0 110.98 169.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.53 0.681 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.23 167.4 22.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.907 1.683 . . . . 0.0 109.615 169.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.75 168.15 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.687 1.995 . . . . 0.0 109.594 169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -126.4 148.74 49.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.311 1.445 . . . . 0.0 109.795 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.84 129.68 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.026 0.93 . . . . 0.0 111.324 -176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -115.9 120.5 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.982 1.313 . . . . 0.0 113.283 -169.542 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.8 p -69.33 168.63 13.91 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.327 1.051 . . . . 0.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.07 -29.23 65.05 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.245 -0.91 . . . . 0.0 112.069 169.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -66.02 -40.08 90.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.134 1.374 . . . . 0.0 111.806 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.06 11.89 2.74 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.135 1.35 . . . . 0.0 115.978 171.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -81.76 134.16 35.41 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.946 1.698 . . . . 0.0 110.605 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -101.73 112.6 25.24 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.47 1.508 . . . . 0.0 110.18 171.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.75 158.22 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 127.184 2.193 . . . . 0.0 109.581 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -132.39 132.18 42.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.449 1.5 . . . . 0.0 109.138 172.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -129.08 148.11 50.99 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.768 1.627 . . . . 0.0 111.239 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -107.54 96.43 6.4 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.935 1.294 . . . . 0.0 110.656 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 m -125.38 177.43 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.506 1.922 . . . . 0.0 112.051 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.1 164.4 13.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.877 1.671 . . . . 0.0 110.106 169.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -60.8 -16.7 43.57 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.072 -1.018 . . . . 0.0 113.4 172.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -99.98 -7.19 25.41 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.606 1.962 . . . . 0.0 113.637 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.55 157.03 30.82 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.562 1.074 . . . . 0.0 111.41 170.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -90.52 161.28 15.55 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -57.55 -41.62 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.299 1.039 . . . . 0.0 110.785 170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -54.42 -43.44 71.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.442 1.097 . . . . 0.0 112.937 170.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.59 -49.0 72.89 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.283 0.633 . . . . 0.0 110.874 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -52.55 -55.0 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.472 0.709 . . . . 0.0 110.69 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -47.97 -47.64 32.75 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.303 1.041 . . . . 0.0 112.426 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -66.27 -13.19 60.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 113.421 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -88.88 -28.24 20.48 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.535 1.061 . . . . 0.0 111.365 172.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.1 -31.54 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 120.453 1.479 . . . . 0.0 110.063 168.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.22 -18.29 63.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.993 -1.067 . . . . 0.0 112.785 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.95 -26.22 34.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.543 1.137 . . . . 0.0 112.279 171.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -96.1 -40.49 9.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.033 1.333 . . . . 0.0 113.134 -172.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -134.49 -20.99 1.8 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.56 1.544 . . . . 0.0 113.478 -175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 5.06 54.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.323 0.963 . . . . 0.0 115.231 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.9 mm -61.86 119.83 51.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.214 1.406 . . . . 0.0 111.748 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -67.81 122.71 9.88 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.302 2.668 . . . . 0.0 112.294 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.89 -8.33 13.47 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.771 2.981 . . . . 0.0 115.922 -174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.01 -21.18 22.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.866 1.212 . . . . 0.0 112.417 176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.97 -16.85 21.44 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -95.63 155.45 16.74 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.092 0.948 . . . . 0.0 113.313 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -134.55 156.85 47.93 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.491 3.116 . . . . 0.0 109.027 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -116.63 152.47 34.14 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.296 1.038 . . . . 0.0 111.499 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mm -134.25 123.65 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 126.116 1.766 . . . . 0.0 110.114 -170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -142.57 146.1 34.26 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.73 1.612 . . . . 0.0 111.338 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 38.66 47.58 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 127.57 2.348 . . . . 0.0 114.077 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.82 14.52 67.82 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.668 1.604 . . . . 0.0 116.416 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -101.16 169.33 9.0 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.555 1.942 . . . . 0.0 112.337 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -119.82 101.7 8.07 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 107.934 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -67.89 132.45 47.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.12 1.768 . . . . 0.0 112.96 -168.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -87.94 144.48 26.53 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.009 1.324 . . . . 0.0 111.942 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.96 -39.69 82.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -169.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.98 -3.77 88.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.213 0.911 . . . . 0.0 114.763 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -80.3 168.0 19.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.071 1.348 . . . . 0.0 111.149 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -107.4 171.78 7.19 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.749 1.22 . . . . 0.0 111.801 170.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.75 -47.28 85.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.551 0.741 . . . . 0.0 110.273 169.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 t -57.29 -30.47 64.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.849 1.26 . . . . 0.0 113.602 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.57 -36.41 71.64 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.42 1.088 . . . . 0.0 113.636 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -102.63 14.31 32.29 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.418 1.087 . . . . 0.0 112.039 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 t30 57.39 30.28 18.31 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.989 2.116 . . . . 0.0 112.903 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -56.38 122.05 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.347 1.459 . . . . 0.0 109.511 175.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -94.37 170.92 9.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.862 1.265 . . . . 0.0 111.027 173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 151.96 32.55 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.597 -0.69 . . . . 0.0 111.897 170.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 53.35 19.05 1.46 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.479 2.312 . . . . 0.0 114.985 -175.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 t -65.2 149.88 49.16 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.23 -0.919 . . . . 0.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.1 p -115.96 89.6 3.14 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.889 1.675 . . . . 0.0 111.431 -169.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.23 175.93 6.26 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.452 1.501 . . . . 0.0 111.542 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -123.48 156.86 34.78 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.36 1.064 . . . . 0.0 111.671 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.59 148.06 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.77 1.228 . . . . 0.0 112.168 171.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.07 138.99 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 126.909 2.084 . . . . 0.0 110.707 177.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.63 145.62 29.78 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.35 1.46 . . . . 0.0 111.655 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -52.57 -65.05 0.63 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.453 1.501 . . . . 0.0 111.118 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.7 pt? -60.75 -24.03 65.41 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.131 2.172 . . . . 0.0 115.019 -177.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.59 -25.3 62.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.689 1.196 . . . . 0.0 112.985 172.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.49 -2.2 90.58 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.436 1.493 . . . . 0.0 115.226 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.955 1.74 . . . . 0.0 112.944 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 113.248 0.442 . . . . 0.0 113.248 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 173.03 177.38 42.26 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.65 1.119 . . . . 0.0 113.335 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.47 112.46 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.9 1.28 . . . . 0.0 109.936 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 68.8 m -69.53 88.3 0.49 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.139 1.376 . . . . 0.0 111.623 173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.0 -2.71 66.29 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.157 1.361 . . . . 0.0 115.976 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 177.17 -174.48 47.06 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.534 1.54 . . . . 0.0 113.341 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 79.65 26.94 55.55 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 172.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -76.32 -4.43 79.39 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -172.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 77.76 -64.74 3.28 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.387 1.47 . . . . 0.0 112.826 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.6 pt -73.03 2.59 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.039 1.736 . . . . 0.0 113.876 171.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.15 -23.26 66.44 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.29 2.236 . . . . 0.0 114.415 -170.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.19 135.83 93.67 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.748 0.819 . . . . 0.0 113.027 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.22 -31.29 53.95 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.663 2.909 . . . . 0.0 113.371 -170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.0 -20.02 63.44 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -115.75 -30.91 5.98 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.401 1.08 . . . . 0.0 113.552 172.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -64.77 -29.51 70.49 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 112.88 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.89 19.87 12.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.686 1.595 . . . . 0.0 113.099 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -45.72 -51.21 12.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.763 1.625 . . . . 0.0 114.067 -173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -54.26 -55.58 26.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.044 1.338 . . . . 0.0 112.45 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -60.53 -41.1 93.77 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.693 1.197 . . . . 0.0 112.087 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.0 mt -58.95 -51.03 71.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.876 1.271 . . . . 0.0 111.738 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -57.18 -46.3 82.94 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.402 0.681 . . . . 0.0 112.147 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.98 -48.69 77.81 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.989 0.916 . . . . 0.0 111.494 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 78.0 mt -57.43 -51.12 70.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.899 0.88 . . . . 0.0 112.031 174.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -53.86 -46.39 71.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.247 -0.908 . . . . 0.0 112.144 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -63.14 -28.46 70.08 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.995 1.718 . . . . 0.0 113.075 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 21.2 mtt -72.9 -18.0 61.46 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.592 1.157 . . . . 0.0 113.708 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 120.22 3.84 11.51 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.359 1.457 . . . . 0.0 115.904 -172.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.38 80.17 3.5 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 120.743 2.271 . . . . 0.0 110.933 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -78.91 -8.94 59.31 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -78.89 87.92 4.72 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.075 -1.016 . . . . 0.0 111.735 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -52.04 -52.5 50.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.963 1.305 . . . . 0.0 113.54 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.34 -37.7 84.24 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.705 0.802 . . . . 0.0 112.732 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 44.7 ttm-85 -63.15 -47.58 82.1 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.01 1.324 . . . . 0.0 111.438 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -59.35 -46.93 87.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.582 1.153 . . . . 0.0 111.398 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.84 -50.66 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.728 1.211 . . . . 0.0 111.476 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.04 73.25 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.056 0.844 . . . . 0.0 112.499 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.9 -51.0 24.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.721 1.209 . . . . 0.0 112.124 174.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.25 -40.56 90.73 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.29 1.036 . . . . 0.0 111.645 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -57.72 -26.02 61.19 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.473 1.509 . . . . 0.0 115.049 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -105.59 -30.73 9.32 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.564 1.146 . . . . 0.0 113.016 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 59.4 m -69.58 -10.52 58.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 114.295 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 84.47 23.1 52.14 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.752 1.168 . . . . 0.0 112.756 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 82.44 2.98 90.7 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.307 1.432 . . . . 0.0 114.606 -172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.4 t -68.57 109.1 3.59 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 1.27 . . . . 0.0 111.497 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.06 -56.68 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.811 2.045 . . . . 0.0 113.422 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -69.35 -26.06 64.49 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.463 1.105 . . . . 0.0 112.945 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.15 -47.21 83.72 Favored Glycine 0 CA--C 1.534 1.23 0 O-C-N 121.129 -0.982 . . . . 0.0 111.348 169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.88 82.9 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.335 172.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -41.58 78.21 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.243 1.417 . . . . 0.0 112.716 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -42.01 95.78 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.936 0.789 . . . . 0.0 112.776 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.4 m -62.73 -40.59 97.69 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.599 0.76 . . . . 0.0 112.497 173.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.85 -38.37 83.07 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.135 1.374 . . . . 0.0 112.649 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.65 -44.23 94.43 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.255 1.422 . . . . 0.0 111.764 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.18 -20.74 64.0 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.081 0.952 . . . . 0.0 113.29 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 68.62 21.55 74.75 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.713 1.149 . . . . 0.0 113.857 -176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.74 -28.95 64.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.563 1.145 . . . . 0.0 113.004 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.616 1.966 . . . . 0.0 111.626 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.395 0.616 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -138.41 166.61 23.82 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.84 1.656 . . . . 0.0 109.968 170.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.76 167.82 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 126.685 1.994 . . . . 0.0 109.801 169.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -127.22 148.71 50.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.746 1.619 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.38 122.57 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.923 0.889 . . . . 0.0 111.801 -173.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 116.87 32.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.945 1.298 . . . . 0.0 112.683 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -77.63 159.44 29.2 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.412 -0.805 . . . . 0.0 112.632 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -55.86 -32.37 63.6 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.385 1.874 . . . . 0.0 113.002 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -62.52 -37.95 88.03 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.389 1.076 . . . . 0.0 112.275 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.42 8.66 3.91 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.274 1.416 . . . . 0.0 115.702 169.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.41 133.59 34.46 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.229 1.811 . . . . 0.0 111.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -96.46 115.61 27.71 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.996 1.318 . . . . 0.0 110.434 172.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 mm -89.07 158.12 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.714 2.006 . . . . 0.0 110.129 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -133.56 132.14 40.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.851 1.66 . . . . 0.0 109.026 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 mt -130.46 150.05 51.85 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.788 1.635 . . . . 0.0 111.877 -173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -108.04 95.82 5.94 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.277 1.431 . . . . 0.0 110.689 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.31 176.69 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.301 1.84 . . . . 0.0 112.232 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -113.71 164.94 13.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.263 1.825 . . . . 0.0 110.272 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.3 m -58.9 -20.38 50.97 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.111 -0.993 . . . . 0.0 113.087 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.5 m -101.52 -4.88 25.96 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.229 1.812 . . . . 0.0 113.674 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.56 153.17 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.597 1.089 . . . . 0.0 111.019 169.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.1 p -86.91 161.74 18.1 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.479 -0.763 . . . . 0.0 112.858 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.9 mm -58.57 -41.48 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.248 1.019 . . . . 0.0 110.762 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -54.07 -43.42 70.28 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.396 1.079 . . . . 0.0 112.819 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -65.3 -46.26 81.08 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 123.541 0.736 . . . . 0.0 111.356 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 79.4 t -55.26 -53.48 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.568 0.622 . . . . 0.0 110.64 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -51.46 -45.07 62.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.343 1.057 . . . . 0.0 111.996 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -65.51 -14.06 60.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.299 1.84 . . . . 0.0 113.569 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -90.12 -28.56 18.88 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.608 1.095 . . . . 0.0 111.414 172.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.92 -32.0 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 120.58 1.537 . . . . 0.0 109.923 168.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -64.18 -16.35 61.77 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.977 -1.077 . . . . 0.0 112.898 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.37 -26.1 33.2 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.425 1.09 . . . . 0.0 112.479 170.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -96.1 -38.79 10.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.126 1.37 . . . . 0.0 113.182 -172.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -132.76 -24.73 1.93 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.75 1.62 . . . . 0.0 113.654 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.25 5.86 55.78 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.103 0.858 . . . . 0.0 115.074 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.38 118.57 41.73 Favored Pre-proline 0 N--CA 1.471 0.604 0 C-N-CA 126.182 1.793 . . . . 0.0 110.403 -175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -67.3 124.14 11.74 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.949 2.432 . . . . 0.0 112.13 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 -13.78 37.38 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 124.028 3.152 . . . . 0.0 115.1 -174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.02 -31.3 58.83 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.254 1.022 . . . . 0.0 112.905 172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -93.08 -15.52 26.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.897 1.279 . . . . 0.0 114.078 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -101.96 152.6 20.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -122.36 159.4 27.57 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.632 2.373 . . . . 0.0 108.786 169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.04 148.68 32.06 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.889 0.876 . . . . 0.0 110.474 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 mm -130.27 119.93 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.575 1.55 . . . . 0.0 109.872 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -139.66 147.98 41.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.579 1.152 . . . . 0.0 111.852 170.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.34 32.66 1.6 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.398 1.879 . . . . 0.0 114.092 -172.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 7.45 77.83 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 126.302 1.906 . . . . 0.0 115.548 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -109.52 143.58 38.98 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.112 1.765 . . . . 0.0 111.411 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.19 118.97 20.93 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.387 0.675 . . . . 0.0 110.742 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.34 147.71 37.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.511 1.124 . . . . 0.0 110.739 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -103.49 143.13 33.12 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 111.549 -173.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.8 -40.73 73.13 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -168.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -2.79 90.66 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.417 1.008 . . . . 0.0 114.439 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -77.51 170.36 16.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.164 1.386 . . . . 0.0 110.92 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.6 p -113.0 173.24 6.48 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.09 1.356 . . . . 0.0 111.854 172.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 HG21 ' A' ' 61' ' ' ILE . 2.9 mm? -58.66 -47.73 83.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.356 0.662 . . . . 0.0 110.418 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.3 t -57.33 -31.21 65.48 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.121 1.369 . . . . 0.0 113.526 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.39 -37.11 72.17 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.337 1.055 . . . . 0.0 113.505 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -102.25 13.93 33.32 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.472 1.109 . . . . 0.0 112.039 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.6 t30 55.27 31.24 16.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.943 2.097 . . . . 0.0 112.931 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 56' ' ' LEU . 5.4 mm -56.19 127.7 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.167 1.387 . . . . 0.0 108.964 174.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -100.52 171.98 7.4 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.967 1.307 . . . . 0.0 111.15 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 149.92 37.73 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 111.56 169.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 54.02 23.11 3.8 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.079 2.152 . . . . 0.0 114.857 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 63.7 m -61.75 148.02 44.3 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.208 -0.933 . . . . 0.0 111.361 174.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -115.09 85.28 2.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.367 1.467 . . . . 0.0 111.111 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.92 176.78 6.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.184 1.393 . . . . 0.0 111.496 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -123.72 153.7 40.49 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.271 1.028 . . . . 0.0 111.401 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.76 146.31 43.89 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.555 1.142 . . . . 0.0 109.475 169.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.81 136.47 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 124.894 1.278 . . . . 0.0 110.031 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.83 126.33 47.41 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.079 0.952 . . . . 0.0 111.054 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -22.9 67.08 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 73' ' ' LEU . 1.9 mm? -56.57 -33.58 66.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.97 1.308 . . . . 0.0 112.416 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -67.37 -12.43 60.18 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.514 1.926 . . . . 0.0 115.127 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.61 -1.01 0.02 OUTLIER Glycine 0 CA--C 1.538 1.525 0 N-CA-C 118.756 2.263 . . . . 0.0 118.756 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.271 0 CA-C-N 119.807 1.804 . . . . 0.0 113.149 -176.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 N-CA-C 113.487 0.534 . . . . 0.0 113.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 78.45 1.83 82.92 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 173.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 3.2 mp 66.29 -56.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 128.913 2.885 . . . . 0.0 112.629 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.6 p -143.33 174.72 10.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.562 1.945 . . . . 0.0 112.547 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -95.0 -126.48 4.82 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.359 1.456 . . . . 0.0 113.234 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -67.69 -174.44 7.65 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.901 1.715 . . . . 0.0 114.615 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -59.4 -19.75 48.45 Favored Glycine 0 CA--C 1.54 1.638 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -92.27 6.32 78.32 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.338 1.446 . . . . 0.0 114.792 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.75 -51.99 4.36 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.672 2.082 . . . . 0.0 113.765 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 33.1 pt -121.45 18.12 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 127.609 2.364 . . . . 0.0 112.674 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.36 -33.69 74.05 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.832 2.453 . . . . 0.0 114.745 -170.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.03 142.05 89.51 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.96 1.704 . . . . 0.0 115.505 -169.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.94 -26.35 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.55 2.833 . . . . 0.0 113.436 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.93 -20.99 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -105.19 -27.42 11.58 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.769 1.228 . . . . 0.0 113.332 170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -36.62 84.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.224 1.01 . . . . 0.0 112.593 173.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -120.74 17.1 11.92 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.324 . . . . 0.0 114.232 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.73 -36.48 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.663 1.574 . . . . 0.0 114.522 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -59.08 -54.58 45.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.984 0.914 . . . . 0.0 111.744 172.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -60.69 -41.59 95.45 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.656 1.182 . . . . 0.0 112.633 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.78 -51.23 69.72 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.496 1.119 . . . . 0.0 111.132 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -58.04 -41.55 83.49 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.729 1.212 . . . . 0.0 112.939 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.38 -54.27 48.68 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.883 0.873 . . . . 0.0 110.768 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.7 mt -56.72 -46.51 81.26 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.143 0.977 . . . . 0.0 112.319 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -52.19 -58.69 5.85 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.549 0.74 . . . . 0.0 111.825 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.71 -28.18 67.44 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 62.4 mtm -68.92 -32.13 71.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.666 170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 155.0 8.46 0.07 OUTLIER Glycine 0 CA--C 1.541 1.662 0 N-CA-C 118.303 2.081 . . . . 0.0 118.303 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.33 87.07 2.64 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 121.176 2.488 . . . . 0.0 113.214 -169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.06 2.27 13.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -75.72 77.46 2.69 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.51 1.524 . . . . 0.0 111.864 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -53.13 -43.22 66.77 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.005 -1.059 . . . . 0.0 113.626 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -60.91 -43.5 98.46 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.855 0.862 . . . . 0.0 112.797 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -66.49 -44.22 83.21 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.69 0.796 . . . . 0.0 111.7 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -58.91 -46.24 88.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.41 0.684 . . . . 0.0 110.819 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -56.32 -53.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.303 1.041 . . . . 0.0 111.582 173.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.73 -38.6 85.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.262 0.937 . . . . 0.0 112.389 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.46 80.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.322 1.449 . . . . 0.0 112.281 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.67 -40.45 92.39 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.643 1.177 . . . . 0.0 111.992 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -54.45 -54.94 34.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.48 1.112 . . . . 0.0 112.488 174.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -32.97 68.61 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 29.8 t -60.62 -37.64 82.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 113.03 171.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 93.69 19.61 34.11 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.943 1.259 . . . . 0.0 113.509 -170.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 95.58 3.88 60.92 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.917 1.722 . . . . 0.0 115.74 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 48.4 t -80.34 127.66 32.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.578 1.689 . . . . 0.0 112.088 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 47.3 t -54.99 -55.02 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.279 1.432 . . . . 0.0 110.94 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.07 -31.54 72.76 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.79 -40.11 85.33 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.686 -0.634 . . . . 0.0 113.0 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.13 -42.95 83.59 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.622 -0.928 . . . . 0.0 112.469 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.66 -45.57 85.36 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.695 1.998 . . . . 0.0 111.787 174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.92 -39.83 86.78 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.0 0.92 . . . . 0.0 112.971 172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 46.0 m -64.78 -42.81 94.8 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.283 -0.886 . . . . 0.0 112.53 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.63 -41.3 98.29 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.87 1.268 . . . . 0.0 112.122 174.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.02 -44.65 96.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.616 1.167 . . . . 0.0 112.506 171.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.75 -18.23 65.27 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.624 1.169 . . . . 0.0 113.21 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.92 24.74 76.79 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.308 0.956 . . . . 0.0 112.887 -173.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -29.04 69.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.791 1.636 . . . . 0.0 112.549 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.251 1.15 0 C-N-CA 128.344 2.658 . . . . 0.0 111.47 171.384 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.974 0.416 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -133.93 166.29 23.03 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.604 1.162 . . . . 0.0 110.271 170.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -146.46 167.84 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.385 1.874 . . . . 0.0 110.277 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -126.51 149.95 49.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.73 1.612 . . . . 0.0 110.085 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.03 117.92 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.23 1.012 . . . . 0.0 111.269 -173.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -111.22 119.7 39.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.902 1.281 . . . . 0.0 113.025 -169.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.3 p -63.73 168.02 5.33 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.97 1.708 . . . . 0.0 113.632 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 70' ' ' VAL . 38.1 mt -69.0 -37.65 78.83 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.495 -0.753 . . . . 0.0 110.584 168.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -58.5 -46.6 86.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.659 1.984 . . . . 0.0 112.089 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.23 4.54 2.88 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.471 1.51 . . . . 0.0 116.571 169.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -71.49 137.37 48.12 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.133 1.773 . . . . 0.0 110.688 170.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -106.85 115.61 30.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.165 1.786 . . . . 0.0 110.102 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mm -85.47 156.98 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.791 1.636 . . . . 0.0 110.063 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 m -132.43 135.25 45.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.891 1.676 . . . . 0.0 109.075 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.58 158.93 42.73 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.664 1.586 . . . . 0.0 111.86 -174.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -116.42 100.13 7.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.429 1.492 . . . . 0.0 111.141 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.55 179.26 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 126.817 2.047 . . . . 0.0 112.146 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -120.42 160.63 22.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.945 2.098 . . . . 0.0 110.475 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -55.85 -20.25 14.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.366 1.066 . . . . 0.0 113.564 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 p -93.78 -9.19 38.34 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.396 1.878 . . . . 0.0 113.869 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.39 139.71 58.55 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.409 1.004 . . . . 0.0 111.55 171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.3 p -77.53 160.19 28.79 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.204 0.601 . . . . 0.0 112.267 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.38 -42.26 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.415 -0.803 . . . . 0.0 110.827 171.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -53.75 -44.77 70.23 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.647 1.179 . . . . 0.0 112.912 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.31 -49.42 74.04 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.266 0.626 . . . . 0.0 110.897 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 56' ' ' LEU . 62.0 t -54.77 -54.08 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.697 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -47.58 -47.83 28.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.984 0.914 . . . . 0.0 112.635 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -63.83 -18.07 63.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.579 1.552 . . . . 0.0 113.3 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -83.45 -31.56 26.51 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.629 -1.295 . . . . 0.0 111.363 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.96 -33.27 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.575 1.08 . . . . 0.0 111.138 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -61.98 -15.91 47.37 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.4 -0.813 . . . . 0.0 112.886 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -82.59 -24.17 34.06 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.997 -1.064 . . . . 0.0 113.29 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -99.68 -38.89 8.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.141 1.776 . . . . 0.0 112.615 -170.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -132.81 -23.04 2.05 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.659 1.584 . . . . 0.0 113.539 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.7 7.51 56.61 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.038 0.828 . . . . 0.0 114.912 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.0 118.88 43.47 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 124.85 1.26 . . . . 0.0 111.368 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.97 125.63 13.37 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.913 2.409 . . . . 0.0 112.067 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.12 -4.3 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.051 0 C-N-CA 123.884 3.056 . . . . 0.0 115.823 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -87.25 -19.76 27.85 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.716 1.144 . . . . 0.0 112.272 172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.38 -36.9 11.19 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.272 1.029 . . . . 0.0 113.601 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -85.65 155.97 20.88 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.995 1.378 . . . . 0.0 113.879 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -135.95 149.21 48.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 131.677 3.991 . . . . 0.0 107.01 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -113.14 152.33 29.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.83 0.852 . . . . 0.0 111.251 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -136.05 128.42 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.629 1.572 . . . . 0.0 110.879 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -147.08 147.83 31.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.899 1.28 . . . . 0.0 111.288 169.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.62 31.57 1.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.148 1.779 . . . . 0.0 113.98 -170.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.2 -0.55 39.04 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 126.885 2.183 . . . . 0.0 115.453 -174.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -89.7 138.49 31.43 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.153 1.781 . . . . 0.0 111.151 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.54 112.09 7.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.699 1.2 . . . . 0.0 110.676 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -80.98 124.77 29.42 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.767 0.827 . . . . 0.0 111.04 -175.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -87.32 144.61 26.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.944 0.898 . . . . 0.0 112.481 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -54.7 -40.88 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.82 90.47 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.364 0.983 . . . . 0.0 115.156 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -75.44 167.28 22.2 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.608 1.204 . . . . 0.0 110.64 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.9 p -109.6 172.09 7.06 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 112.083 169.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 26' ' ' VAL . 70.2 mt -61.55 -46.9 87.94 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.016 0.926 . . . . 0.0 111.294 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.8 t -56.5 -32.44 65.03 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.252 1.021 . . . . 0.0 113.213 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -33.37 68.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.443 1.097 . . . . 0.0 113.344 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -103.39 13.16 34.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.882 1.273 . . . . 0.0 112.352 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.34 26.91 13.01 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 126.937 2.095 . . . . 0.0 113.24 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.27 124.48 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.652 1.581 . . . . 0.0 109.279 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -95.42 172.94 7.78 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.665 1.186 . . . . 0.0 110.732 172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 161.35 13.06 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.378 -0.826 . . . . 0.0 110.986 169.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.253 9.2 pt-20 49.31 20.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.11 2.564 . . . . 0.0 115.229 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -66.94 152.18 46.21 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.193 0.997 . . . . 0.0 111.634 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.7 p -118.7 86.94 2.63 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.808 1.643 . . . . 0.0 111.022 -172.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.25 176.73 6.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.538 1.535 . . . . 0.0 111.058 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -126.91 145.03 50.82 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.828 0.851 . . . . 0.0 111.533 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -110.16 141.6 42.84 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 8' ' ' LEU . 34.5 m -132.16 144.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 C-N-CA 126.614 1.966 . . . . 0.0 108.718 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.74 137.01 54.71 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.42 -0.8 . . . . 0.0 112.818 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -63.99 -14.32 53.1 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.88 10.76 6.01 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.524 1.929 . . . . 0.0 114.428 -173.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -62.81 -25.75 68.4 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.486 1.514 . . . . 0.0 115.024 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.33 15.87 80.06 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.572 0.989 . . . . 0.0 115.572 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.314 0 C-N-CA 126.306 1.908 . . . . 0.0 114.135 -179.323 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo . . . . . 0 N--CA 1.486 1.082 0 N-CA-C 112.754 0.251 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -83.25 52.74 4.78 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.41 1.481 . . . . 0.0 113.337 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 36.5 mt 44.19 -86.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 129.069 2.948 . . . . 0.0 112.838 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 20.4 m -63.43 -23.64 67.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.516 1.527 . . . . 0.0 113.707 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 165.51 -84.26 0.1 Allowed Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.192 1.377 . . . . 0.0 112.354 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 69.88 6.03 54.47 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.192 1.377 . . . . 0.0 116.222 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 167.65 -166.87 39.64 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.482 1.515 . . . . 0.0 113.247 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 161.61 -32.78 0.35 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.151 1.358 . . . . 0.0 114.025 175.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -120.01 83.49 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 C-N-CA 126.336 1.922 . . . . 0.0 110.795 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . 0.253 21.1 pt 40.11 38.59 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 129.07 2.948 . . . . 0.0 115.118 -172.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 57.1 tp -119.59 -4.87 10.28 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.457 2.303 . . . . 0.0 112.592 -173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 149.02 98.5 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.242 1.417 . . . . 0.0 113.382 -173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.4 -28.17 46.67 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.14 2.56 . . . . 0.0 113.014 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.04 -18.22 59.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.391 1.477 . . . . 0.0 114.836 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.55 -33.6 6.54 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.507 1.123 . . . . 0.0 113.296 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 43.1 mtm105 -65.31 -28.7 69.5 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.19 17.26 13.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.222 1.409 . . . . 0.0 113.385 -177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.44 -34.98 59.91 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -170.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -63.0 -55.56 24.68 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.008 1.323 . . . . 0.0 112.096 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -59.69 -43.06 94.19 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.835 1.254 . . . . 0.0 111.949 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 53.8 mt -56.84 -49.92 73.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.129 1.372 . . . . 0.0 111.468 173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.66 -43.01 98.15 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.674 1.19 . . . . 0.0 112.529 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -60.66 -45.89 92.39 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.89 0.876 . . . . 0.0 111.728 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.28 -48.1 83.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.822 0.849 . . . . 0.0 111.963 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -51.87 -53.57 39.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.123 0.569 . . . . 0.0 111.717 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.54 -32.76 74.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.268 1.427 . . . . 0.0 113.193 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 64.6 mtm -71.7 -24.21 61.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.998 0.919 . . . . 0.0 113.208 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.98 8.65 0.75 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.243 1.657 . . . . 0.0 117.243 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -105.98 86.48 2.39 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.492 2.146 . . . . 0.0 111.318 -172.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -68.4 -18.35 64.43 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.81 78.55 0.45 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.256 1.822 . . . . 0.0 112.426 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.94 -48.99 72.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.319 1.448 . . . . 0.0 113.09 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -61.86 -34.6 76.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.375 1.07 . . . . 0.0 113.377 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -68.95 -44.2 73.5 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.587 1.155 . . . . 0.0 111.124 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -59.62 -45.89 90.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.362 1.065 . . . . 0.0 111.582 172.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.6 t -54.3 -53.01 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.598 1.159 . . . . 0.0 111.166 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.09 72.8 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.13 0.877 . . . . 0.0 112.916 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.96 -47.04 61.17 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.177 1.391 . . . . 0.0 112.458 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.54 -37.64 88.25 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 120.971 -1.081 . . . . 0.0 111.842 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -59.18 -27.14 65.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -100.22 -29.7 12.32 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.744 1.218 . . . . 0.0 112.665 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -74.22 -10.14 59.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.718 2.007 . . . . 0.0 114.589 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 81.39 22.08 61.14 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.677 1.132 . . . . 0.0 112.814 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 86.13 3.04 85.38 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.404 1.478 . . . . 0.0 114.628 -172.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.6 t -68.81 107.28 2.99 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.995 1.398 . . . . 0.0 111.718 173.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 5.1 p -47.4 -56.79 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.246 2.219 . . . . 0.0 113.457 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -65.58 -36.68 84.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 112.676 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.37 -43.34 99.21 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 123.782 0.706 . . . . 0.0 112.704 172.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.79 96.83 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.248 1.019 . . . . 0.0 111.552 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -47.64 76.96 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.073 1.349 . . . . 0.0 112.663 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.61 -40.82 93.23 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.263 0.625 . . . . 0.0 112.578 173.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 69.5 m -63.88 -44.12 94.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.13 0.972 . . . . 0.0 112.667 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.49 -46.08 91.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.127 1.771 . . . . 0.0 111.61 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.93 -45.52 85.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.178 1.391 . . . . 0.0 113.032 176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.92 -17.18 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.562 1.145 . . . . 0.0 113.592 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 79.79 23.71 61.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.281 0.943 . . . . 0.0 113.804 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -67.29 -24.16 65.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.941 1.297 . . . . 0.0 112.971 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 128.808 2.843 . . . . 0.0 111.681 170.408 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.053 0.454 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -132.29 164.77 25.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.679 0.792 . . . . 0.0 110.682 169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.15 169.33 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 126.25 1.82 . . . . 0.0 110.188 169.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -127.74 148.62 50.42 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.601 1.56 . . . . 0.0 110.029 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.64 128.46 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.232 1.013 . . . . 0.0 111.1 -177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -118.72 123.82 45.81 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.179 1.391 . . . . 0.0 113.698 -169.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.8 p -67.61 167.25 13.38 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 121.258 -0.901 . . . . 0.0 113.217 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.8 -34.12 76.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.454 -0.779 . . . . 0.0 111.753 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -66.94 -39.95 87.45 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.737 1.615 . . . . 0.0 112.153 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.554 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.06 11.67 1.57 Allowed Glycine 0 CA--C 1.538 1.521 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 169.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -81.9 130.55 35.11 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.95 2.1 . . . . 0.0 110.727 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -108.47 113.55 26.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.363 1.465 . . . . 0.0 110.85 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mm -84.59 156.16 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 127.321 2.248 . . . . 0.0 109.458 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -133.47 135.15 44.32 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.936 1.695 . . . . 0.0 108.917 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -132.75 158.09 43.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.601 1.561 . . . . 0.0 111.929 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.24 97.36 6.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.55 1.54 . . . . 0.0 110.59 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.81 177.74 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 127.251 2.22 . . . . 0.0 111.316 -174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -119.4 159.21 24.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.658 1.583 . . . . 0.0 110.339 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -57.52 -16.67 10.51 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -92.19 -9.39 42.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.946 1.698 . . . . 0.0 114.095 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.24 144.16 57.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.611 1.096 . . . . 0.0 111.74 172.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -77.36 160.8 28.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.412 0.685 . . . . 0.0 112.269 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.7 mm -56.68 -44.46 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 121.507 -0.746 . . . . 0.0 109.995 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -51.81 -43.42 63.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.237 1.415 . . . . 0.0 113.618 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -64.54 -49.92 69.35 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.851 -0.531 . . . . 0.0 110.864 173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG21 HD21 ' A' ' 56' ' ' LEU . 60.8 t -57.31 -55.16 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.089 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -32.51 68.62 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.494 1.043 . . . . 0.0 113.665 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -66.43 -22.83 66.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 113.626 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -81.09 -29.74 34.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.414 -1.429 . . . . 0.0 111.867 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.36 -36.88 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 118.861 0.755 . . . . 0.0 111.733 171.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -64.04 -18.65 64.55 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.534 -0.729 . . . . 0.0 112.384 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.26 -23.6 54.47 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.218 -0.926 . . . . 0.0 112.922 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -96.29 -49.18 5.31 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.046 1.738 . . . . 0.0 112.169 -171.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -133.64 -18.27 2.18 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.767 1.227 . . . . 0.0 113.865 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.49 3.76 37.64 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.37 118.06 46.62 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.69 1.596 . . . . 0.0 111.17 -172.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -69.12 125.29 12.3 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.34 2.694 . . . . 0.0 113.367 -170.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.83 -13.03 37.87 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 123.891 3.061 . . . . 0.0 114.864 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -79.59 -20.69 46.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.517 1.527 . . . . 0.0 112.756 173.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -104.38 -32.87 8.84 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.336 1.054 . . . . 0.0 112.75 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -85.46 158.54 20.17 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.42 1.105 . . . . 0.0 112.872 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.4 164.43 27.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.73 2.812 . . . . 0.0 109.755 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.1 mt -118.98 152.07 37.04 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.66 1.184 . . . . 0.0 111.851 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 49' ' ' GLN . 34.1 mm -133.03 132.93 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.883 1.673 . . . . 0.0 111.498 -177.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -150.35 149.98 30.83 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.394 1.478 . . . . 0.0 111.191 168.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.79 28.54 1.92 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.522 1.529 . . . . 0.0 113.396 -169.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.06 -4.25 18.12 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.53 2.491 . . . . 0.0 115.605 -172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -86.34 136.21 33.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.422 1.889 . . . . 0.0 110.832 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.518 ' HA ' HD13 ' A' ' 44' ' ' ILE . 6.6 tt0 -72.99 112.32 8.91 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.029 0.931 . . . . 0.0 110.725 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.2 mt -76.9 128.22 34.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 110.957 -172.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -85.78 143.72 28.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.692 0.797 . . . . 0.0 112.254 -175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -56.73 -37.38 70.9 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.045 1.338 . . . . 0.0 114.577 -169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.25 -4.56 90.16 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.678 1.132 . . . . 0.0 115.326 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.7 169.76 17.69 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.86 1.33 . . . . 0.0 110.744 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.8 p -112.25 171.63 7.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.797 1.239 . . . . 0.0 111.681 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 26' ' ' VAL . 65.8 mt -61.26 -47.95 83.68 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.962 0.905 . . . . 0.0 111.281 172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -57.51 -28.64 63.64 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.089 0.956 . . . . 0.0 113.412 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -30.6 70.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.115 0.966 . . . . 0.0 113.517 177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.61 13.9 30.8 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.239 1.415 . . . . 0.0 112.222 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 t30 54.41 31.3 14.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.218 2.207 . . . . 0.0 113.209 -176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.16 121.74 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.286 1.435 . . . . 0.0 109.493 175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -92.08 171.41 9.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.859 0.864 . . . . 0.0 109.584 169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 162.14 14.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.367 0.603 . . . . 0.0 111.651 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 48.51 20.37 0.3 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 128.604 2.762 . . . . 0.0 114.575 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.2 p -64.87 153.75 39.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.002 1.321 . . . . 0.0 111.485 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -120.54 79.52 1.49 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.963 1.305 . . . . 0.0 110.744 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.8 173.85 9.17 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.625 1.17 . . . . 0.0 110.786 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -124.86 153.11 43.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.597 0.759 . . . . 0.0 111.652 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.96 146.27 42.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.699 1.2 . . . . 0.0 111.828 173.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.18 117.29 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 126.805 2.042 . . . . 0.0 110.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.42 139.49 32.93 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.264 1.026 . . . . 0.0 111.9 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.24 -8.8 57.62 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.09 114.75 8.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.815 2.046 . . . . 0.0 112.302 -171.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -131.67 -10.52 3.53 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.573 1.549 . . . . 0.0 114.964 177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.0 -8.95 81.59 Favored Glycine 0 CA--C 1.539 1.545 0 N-CA-C 115.871 1.108 . . . . 0.0 115.871 -172.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.256 0 C-N-CA 126.465 1.983 . . . . 0.0 112.403 -178.569 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . 0.602 ' N ' ' HG ' ' B' ' 319' ' ' SER . 73.0 Cg_exo . . . . . 0 CA--C 1.535 0.574 0 N-CA-C 112.877 0.299 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.97 -86.96 0.47 Allowed Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.98 1.276 . . . . 0.0 113.169 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 10.5 tp -61.07 -23.65 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.571 1.549 . . . . 0.0 113.611 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' B' ' 316' ' ' PRO . 51.8 p -70.23 -8.38 49.56 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.956 1.702 . . . . 0.0 114.609 172.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 81.51 -54.81 4.82 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.915 1.722 . . . . 0.0 113.941 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 58.81 26.82 60.94 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.288 . . . . 0.0 114.914 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.67 -46.48 1.12 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.683 2.087 . . . . 0.0 114.112 -173.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -159.64 40.11 0.47 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.505 2.479 . . . . 0.0 111.857 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.99 -55.86 3.54 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 126.538 2.018 . . . . 0.0 113.681 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 40.4 pt -128.72 11.88 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 127.189 2.196 . . . . 0.0 113.489 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.07 -22.04 65.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.263 1.825 . . . . 0.0 115.047 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -64.49 136.37 96.74 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.164 -0.96 . . . . 0.0 112.695 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.34 -30.32 45.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.518 2.812 . . . . 0.0 113.416 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.06 -16.57 45.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.22 1.408 . . . . 0.0 114.602 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -119.76 -33.82 3.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.19 1.396 . . . . 0.0 113.376 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -65.22 -27.15 68.48 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -121.18 17.24 11.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.711 1.605 . . . . 0.0 113.321 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.36 -34.67 61.64 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -61.83 -57.7 10.8 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.498 1.119 . . . . 0.0 111.654 171.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -58.16 -41.06 82.97 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.356 1.462 . . . . 0.0 112.623 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.76 -53.0 62.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.866 1.266 . . . . 0.0 111.463 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -61.5 -39.86 92.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.869 0.868 . . . . 0.0 113.273 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -57.37 -56.9 15.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.815 0.734 . . . . 0.0 109.862 173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.08 -47.71 68.3 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.197 0.999 . . . . 0.0 112.777 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -52.95 -57.12 11.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.098 0.559 . . . . 0.0 112.087 174.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.69 -29.22 69.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.283 1.033 . . . . 0.0 113.38 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.2 mtp -67.63 -26.06 66.05 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.287 1.435 . . . . 0.0 112.248 170.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.17 8.24 0.65 Allowed Glycine 0 CA--C 1.539 1.54 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 170.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -108.97 83.58 1.78 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.472 2.136 . . . . 0.0 111.71 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.56 -11.07 60.31 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.68 77.19 0.83 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.441 1.896 . . . . 0.0 111.704 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -53.95 -44.03 70.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.207 1.403 . . . . 0.0 113.297 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.36 -38.86 91.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.112 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -66.92 -42.56 85.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.649 0.779 . . . . 0.0 111.293 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -59.08 -47.27 85.85 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.323 0.649 . . . . 0.0 110.868 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 35.1 t -53.65 -52.3 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.231 1.012 . . . . 0.0 111.525 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.29 85.25 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.844 0.747 . . . . 0.0 111.994 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.09 73.11 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.763 1.225 . . . . 0.0 112.596 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 49.9 mt -66.25 -37.25 85.07 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.295 -0.878 . . . . 0.0 111.512 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -61.56 -23.77 66.2 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 169.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -87.58 -46.71 9.32 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.534 1.534 . . . . 0.0 109.929 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 9.6 p -69.96 -25.41 63.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.898 1.679 . . . . 0.0 114.798 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.75 12.58 59.15 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.24 1.4 . . . . 0.0 113.73 -172.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 101.86 6.8 48.78 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 125.681 1.61 . . . . 0.0 114.623 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 66.1 m -81.83 121.0 25.89 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.609 1.564 . . . . 0.0 111.342 176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.12 -62.15 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.751 1.62 . . . . 0.0 111.79 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . 0.43 HE22 HG13 ' A' ' 44' ' ' ILE . 66.4 mm-40 -68.12 -21.02 64.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.136 1.374 . . . . 0.0 113.422 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -73.61 -43.91 34.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.222 0.915 . . . . 0.0 112.218 170.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.62 91.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.154 0.982 . . . . 0.0 111.892 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -35.43 68.42 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.194 1.797 . . . . 0.0 113.525 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.46 -45.48 92.85 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.503 -0.748 . . . . 0.0 112.683 172.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 72.3 m -64.12 -38.8 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.681 0.792 . . . . 0.0 112.153 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 53.2 mt -68.6 -38.83 80.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.016 1.326 . . . . 0.0 112.862 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.87 -44.69 92.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 111.837 172.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -68.51 -18.69 64.43 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 67.9 22.37 73.86 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.721 1.153 . . . . 0.0 113.695 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.97 -13.03 60.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.987 1.315 . . . . 0.0 113.733 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.252 1.202 0 C-N-CA 127.253 2.221 . . . . 0.0 112.504 169.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 121.145 0.498 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -134.48 165.68 24.63 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.9 166.56 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.227 1.811 . . . . 0.0 110.029 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.62 149.71 48.17 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.297 1.439 . . . . 0.0 110.146 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -136.16 133.69 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.973 0.909 . . . . 0.0 111.488 -177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.2 tmtp? -119.27 123.25 43.78 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.778 1.231 . . . . 0.0 113.486 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 p -69.05 168.58 13.57 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.129 0.971 . . . . 0.0 112.889 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.17 -28.77 61.45 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.347 -0.846 . . . . 0.0 112.241 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -65.37 -39.86 92.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.893 1.277 . . . . 0.0 111.549 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.07 11.35 2.3 Favored Glycine 0 CA--C 1.537 1.42 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 169.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.68 130.46 35.07 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.873 1.669 . . . . 0.0 110.939 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -100.45 113.33 26.01 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.523 1.529 . . . . 0.0 110.193 172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.8 mm -84.41 156.65 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 127.269 2.227 . . . . 0.0 109.612 169.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -129.64 136.41 49.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.428 1.491 . . . . 0.0 109.258 170.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -132.32 157.78 43.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.757 1.623 . . . . 0.0 111.44 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -114.41 100.7 8.51 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.341 1.456 . . . . 0.0 110.734 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.14 176.41 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.41 1.884 . . . . 0.0 111.959 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -111.97 162.36 15.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.611 1.564 . . . . 0.0 109.636 169.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.5 p -60.24 -17.28 40.64 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 173.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 m -101.58 -4.3 26.9 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.318 1.847 . . . . 0.0 113.954 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -65.16 157.04 29.8 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.583 1.083 . . . . 0.0 111.178 169.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 p -91.57 162.31 14.58 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -57.83 -41.74 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.12 -0.987 . . . . 0.0 110.787 171.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -53.89 -43.63 69.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.095 . . . . 0.0 112.819 170.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.18 -50.04 69.69 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.19 0.596 . . . . 0.0 110.721 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.72 -54.32 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -48.61 -47.33 40.12 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.039 0.936 . . . . 0.0 112.472 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -64.73 -18.12 64.75 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 113.219 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -84.35 -33.46 23.85 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.713 -1.242 . . . . 0.0 111.138 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.33 -32.34 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 119.747 1.158 . . . . 0.0 111.46 169.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -61.87 -15.92 46.35 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 121.318 -0.863 . . . . 0.0 112.7 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -83.25 -21.18 33.43 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.989 -1.069 . . . . 0.0 113.309 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -103.94 -38.56 6.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.364 1.866 . . . . 0.0 112.816 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -130.62 -20.79 2.87 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.728 1.611 . . . . 0.0 113.343 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.07 8.35 64.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.066 0.841 . . . . 0.0 114.796 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.06 117.26 37.67 Favored Pre-proline 0 CA--C 1.541 0.605 0 C-N-CA 125.787 1.635 . . . . 0.0 109.957 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -69.88 129.42 17.44 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.722 2.282 . . . . 0.0 112.499 -173.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.83 -13.92 33.53 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.915 3.076 . . . . 0.0 115.272 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -77.19 -20.72 55.01 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.365 1.466 . . . . 0.0 113.3 172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -111.76 -6.15 14.35 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -110.19 154.21 23.68 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.567 1.076 . . . . 0.0 113.751 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -125.1 164.64 19.78 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.7 2.8 . . . . 0.0 109.025 169.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.31 151.47 41.1 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.334 1.054 . . . . 0.0 111.015 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.4 mm -131.89 129.38 60.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.869 1.668 . . . . 0.0 110.802 -176.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -144.98 145.52 31.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.825 1.25 . . . . 0.0 111.554 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 31.59 2.12 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.872 1.669 . . . . 0.0 113.464 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.33 -4.77 39.28 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 126.924 2.202 . . . . 0.0 116.017 -174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -86.57 132.47 33.89 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.219 1.807 . . . . 0.0 111.235 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.8 tt0 -74.15 110.36 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.396 1.079 . . . . 0.0 110.217 169.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.6 mt -76.57 135.99 39.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.884 1.274 . . . . 0.0 111.959 -169.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.58 142.06 28.14 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.145 1.378 . . . . 0.0 112.085 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.02 -40.03 79.83 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -169.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.62 -3.23 88.88 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.263 0.935 . . . . 0.0 114.821 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -77.81 166.75 22.54 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.496 1.518 . . . . 0.0 110.888 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -108.19 171.89 7.15 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.729 1.212 . . . . 0.0 111.544 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.35 -47.99 80.18 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.452 0.701 . . . . 0.0 110.657 169.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.9 m -56.56 -29.94 62.56 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -25.91 68.53 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.483 1.038 . . . . 0.0 113.66 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -108.57 14.52 24.5 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.117 1.367 . . . . 0.0 112.309 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 54.53 31.33 14.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.339 2.255 . . . . 0.0 112.916 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mm -57.24 125.35 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.98 1.312 . . . . 0.0 109.136 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.89 170.98 8.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.784 1.233 . . . . 0.0 110.46 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 160.06 12.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.678 -0.639 . . . . 0.0 111.261 169.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.251 9.6 pt-20 49.46 21.97 0.66 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 128.268 2.627 . . . . 0.0 115.227 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 p -66.53 156.92 33.56 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.566 1.547 . . . . 0.0 112.23 174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.3 p -125.21 89.18 3.01 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.329 1.452 . . . . 0.0 111.299 -171.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.43 174.54 6.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.285 1.434 . . . . 0.0 111.762 -175.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -123.44 156.34 35.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.2 1.0 . . . . 0.0 111.4 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.7 148.07 46.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.763 1.225 . . . . 0.0 112.923 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.09 103.15 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.488 1.915 . . . . 0.0 110.284 -170.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.71 127.68 33.47 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.937 -0.477 . . . . 0.0 110.273 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -59.79 -29.32 68.13 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp -66.55 -45.5 79.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 111.868 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -67.67 -38.73 84.15 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.563 1.945 . . . . 0.0 111.935 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.2 80.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.122 1.344 . . . . 0.0 112.882 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.217 0 CA-C-O 117.31 -1.828 . . . . 0.0 114.053 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 N--CA 1.483 0.895 0 N-CA-C 112.884 0.301 . . . . 0.0 112.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 127.04 -165.76 20.11 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.222 1.391 . . . . 0.0 113.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 48.7 pt -57.25 -20.57 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.114 1.766 . . . . 0.0 115.514 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 66.8 p -73.02 -12.43 60.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.906 1.282 . . . . 0.0 114.438 173.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 83.76 2.68 89.76 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 125.268 1.413 . . . . 0.0 114.655 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 176.11 -73.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.025 0 CA-C-N 118.503 1.151 . . . . 0.0 112.895 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -149.13 173.48 29.0 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.708 1.623 . . . . 0.0 113.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 70.52 -179.88 28.82 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.341 0.972 . . . . 0.0 113.734 -170.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 62.34 62.79 5.26 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.933 1.254 . . . . 0.0 113.888 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 23.1 mt 54.52 71.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.094 1.758 . . . . 0.0 110.179 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -85.45 2.59 43.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.387 2.275 . . . . 0.0 115.017 -175.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.58 131.25 81.95 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 113.604 -169.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.03 -28.79 41.14 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.67 2.913 . . . . 0.0 113.23 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.6 -17.54 47.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.038 1.335 . . . . 0.0 114.546 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -121.04 -32.84 3.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.755 1.222 . . . . 0.0 113.861 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -66.82 -24.9 66.22 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.832 1.196 . . . . 0.0 113.732 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -120.36 18.31 12.18 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.423 1.489 . . . . 0.0 113.614 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -52.73 -37.35 59.14 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -170.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -63.29 -54.13 42.06 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.774 1.229 . . . . 0.0 111.976 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -59.73 -42.4 93.05 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.741 1.216 . . . . 0.0 111.924 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.8 mt -57.57 -50.31 73.53 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.501 1.121 . . . . 0.0 111.545 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -59.43 -42.96 93.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.881 1.272 . . . . 0.0 112.513 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -58.38 -54.68 44.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.072 0.949 . . . . 0.0 110.756 173.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.7 mt -55.45 -44.32 76.25 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.963 0.905 . . . . 0.0 112.994 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -53.76 -55.19 28.58 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 122.0 -0.437 . . . . 0.0 111.734 172.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -64.17 -30.62 71.67 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.979 1.312 . . . . 0.0 113.313 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 67.5 mtp -67.8 -28.66 67.77 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.613 1.565 . . . . 0.0 112.363 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 142.82 7.86 0.6 Allowed Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.244 1.658 . . . . 0.0 117.244 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -115.97 85.41 2.29 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.695 2.247 . . . . 0.0 111.987 -171.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -73.17 -6.22 44.37 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -74.97 87.77 2.34 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.309 1.843 . . . . 0.0 111.903 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -57.68 -50.3 73.65 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.566 -1.334 . . . . 0.0 114.009 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.05 -38.78 87.39 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.123 0.874 . . . . 0.0 112.83 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -60.78 -50.02 75.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.249 1.82 . . . . 0.0 110.962 174.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -59.53 -47.05 87.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.23 1.012 . . . . 0.0 111.762 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.26 -50.65 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.466 1.106 . . . . 0.0 111.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.15 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.559 0.618 . . . . 0.0 111.841 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.15 66.36 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.861 0.864 . . . . 0.0 112.686 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.87 -37.98 86.56 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.939 -1.101 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -64.95 -24.76 67.62 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.43 -39.37 62.64 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.318 0.963 . . . . 0.0 110.567 170.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 42.3 m -86.42 -7.48 58.4 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.136 2.574 . . . . 0.0 115.259 -169.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 76.78 18.84 78.51 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.453 1.025 . . . . 0.0 112.57 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 93.76 2.35 65.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.851 1.691 . . . . 0.0 114.998 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 38.8 t -69.64 109.71 4.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.369 1.585 . . . . 0.0 111.974 174.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.36 -57.45 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.201 2.201 . . . . 0.0 113.605 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -72.86 -21.95 60.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.14 89.42 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.05 91.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.241 1.416 . . . . 0.0 112.463 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -51.64 -33.78 34.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.675 1.99 . . . . 0.0 113.854 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.14 -47.21 80.83 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.116 0.967 . . . . 0.0 113.372 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 18.9 m -66.41 -34.89 78.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.278 -0.889 . . . . 0.0 111.998 175.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.54 -40.96 84.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.75 1.22 . . . . 0.0 112.824 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.36 -45.84 92.06 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.71 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -69.84 -20.91 63.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 61.64 25.72 65.8 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.684 1.135 . . . . 0.0 113.458 -173.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -79.48 -18.31 52.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -169.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.342 1.457 . . . . 0.0 113.644 173.329 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.983 0.42 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -132.89 163.3 29.44 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.099 -1.001 . . . . 0.0 110.034 169.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -145.19 167.0 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.405 1.882 . . . . 0.0 109.846 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -125.39 150.17 47.49 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.119 1.367 . . . . 0.0 109.984 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.28 128.3 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.638 0.775 . . . . 0.0 111.666 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.4 tmtp? -112.26 122.43 47.72 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.054 1.342 . . . . 0.0 112.497 -169.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.0 p -69.07 159.15 33.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.476 0.71 . . . . 0.0 112.101 176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.55 -30.32 71.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.364 0.666 . . . . 0.0 112.228 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 m -65.76 -42.95 90.29 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.772 1.629 . . . . 0.0 111.861 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 134.65 11.71 1.44 Allowed Glycine 0 CA--C 1.537 1.46 0 N-CA-C 117.084 1.594 . . . . 0.0 117.084 169.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -83.68 136.02 34.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.175 1.79 . . . . 0.0 110.842 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 m -103.56 114.62 29.02 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.141 1.376 . . . . 0.0 110.504 172.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -87.71 159.07 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.043 2.137 . . . . 0.0 110.045 171.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -130.49 136.05 48.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.717 1.607 . . . . 0.0 109.305 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -132.29 158.21 42.43 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.838 1.655 . . . . 0.0 111.278 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -115.69 99.28 7.21 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 110.862 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.28 176.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 126.691 1.997 . . . . 0.0 111.999 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -113.8 165.45 12.55 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.413 1.485 . . . . 0.0 110.566 169.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -58.31 -21.22 48.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.154 0.982 . . . . 0.0 112.903 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 m -99.55 -5.49 29.07 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.745 1.618 . . . . 0.0 113.454 -175.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -64.44 150.4 46.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.401 1.001 . . . . 0.0 111.416 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.6 p -81.82 160.29 23.56 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.362 -0.836 . . . . 0.0 112.297 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -57.17 -42.69 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.225 -0.922 . . . . 0.0 109.764 169.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -50.5 -42.91 55.44 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.219 1.408 . . . . 0.0 113.467 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.3 -48.11 71.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.794 -0.622 . . . . 0.0 111.367 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -55.66 -54.68 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 119.262 0.937 . . . . 0.0 111.004 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -30.9 70.94 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -14.93 63.38 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.883 1.273 . . . . 0.0 114.086 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -90.51 -30.86 17.01 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.089 1.313 . . . . 0.0 112.063 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -55.23 -33.37 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.579 1.081 . . . . 0.0 111.412 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.03 -17.67 53.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 112.708 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.99 -21.4 33.94 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.29 1.036 . . . . 0.0 113.312 173.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -103.54 -37.77 7.42 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.29 1.836 . . . . 0.0 112.838 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -132.72 -23.04 2.08 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.736 1.614 . . . . 0.0 113.483 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.92 9.48 59.62 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.054 0.835 . . . . 0.0 114.762 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.1 mm -64.48 121.47 72.87 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 124.806 1.242 . . . . 0.0 109.564 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.25 134.75 21.51 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 121.847 1.698 . . . . 0.0 110.927 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.98 -6.87 13.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.4 2.733 . . . . 0.0 115.313 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.03 -27.36 26.44 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.605 1.093 . . . . 0.0 113.477 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 23.0 mt-30 -98.58 -9.67 24.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -107.76 160.73 15.5 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -135.6 167.32 21.32 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 129.411 3.084 . . . . 0.0 108.788 168.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -117.18 152.39 34.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.552 1.141 . . . . 0.0 111.197 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 49' ' ' GLN . 25.6 mm -129.99 133.41 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.65 1.58 . . . . 0.0 110.638 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -145.02 147.32 32.48 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.17 1.388 . . . . 0.0 111.531 169.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.11 36.8 1.59 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.318 2.247 . . . . 0.0 114.765 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 16.99 79.2 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.336 1.446 . . . . 0.0 115.305 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -120.77 133.97 55.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.092 2.157 . . . . 0.0 111.384 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.3 tt0 -76.63 117.73 18.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.773 1.229 . . . . 0.0 110.938 173.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.04 148.48 27.52 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.019 1.328 . . . . 0.0 111.34 -175.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -115.03 146.45 41.25 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.603 1.161 . . . . 0.0 113.081 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.49 -42.74 64.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 114.947 -169.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.21 -4.42 86.51 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.51 1.052 . . . . 0.0 115.279 -176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -78.14 172.77 13.05 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.694 1.247 . . . . 0.0 110.691 174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' ' 58' ' ' ASP . 80.8 p -118.58 173.92 6.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.663 1.585 . . . . 0.0 112.032 170.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.53 -50.46 73.7 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.977 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 m -53.65 -32.29 50.87 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 114.263 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' HB2' ' H ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -62.07 -26.42 68.26 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.322 1.049 . . . . 0.0 113.668 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.64 14.37 23.42 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.05 1.34 . . . . 0.0 112.33 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.0 t30 53.49 32.72 14.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.373 2.269 . . . . 0.0 112.982 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.75 131.47 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.036 1.334 . . . . 0.0 109.147 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -102.72 171.21 7.55 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.498 1.119 . . . . 0.0 110.853 171.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 159.56 14.93 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.574 -0.704 . . . . 0.0 111.58 172.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.252 9.9 pt-20 48.77 22.48 0.54 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.072 2.549 . . . . 0.0 115.122 -177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 p -66.68 156.39 35.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 112.145 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 p -123.04 88.98 3.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 0.0 111.089 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.84 175.53 6.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.211 1.404 . . . . 0.0 111.701 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.39 155.8 30.07 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.991 1.316 . . . . 0.0 111.143 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.16 148.52 47.16 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.242 1.417 . . . . 0.0 111.548 169.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.92 124.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.28 1.832 . . . . 0.0 110.475 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.28 132.57 34.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.824 1.249 . . . . 0.0 111.501 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 7.4 ptp180 -64.97 -18.16 65.03 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 178.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.04 -41.41 90.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.925 1.29 . . . . 0.0 113.351 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -132.89 -60.95 0.85 Allowed 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.357 1.244 . . . . 0.0 114.357 -170.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 1.55 90.25 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.582 1.563 . . . . 0.0 112.597 -179.058 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.484 0.918 0 N-CA-C 113.353 0.482 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 161.19 -178.74 37.01 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.61 1.1 . . . . 0.0 113.474 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.1 pt -66.04 -9.67 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.653 1.581 . . . . 0.0 115.154 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 12.7 t -60.54 -32.59 71.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.306 1.442 . . . . 0.0 113.9 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 65.32 -155.47 49.33 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.123 0.868 . . . . 0.0 113.728 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 165.15 -16.78 0.1 OUTLIER Glycine 0 CA--C 1.537 1.437 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 173.74 179.51 44.43 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.685 1.243 . . . . 0.0 113.671 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 176.66 -171.87 44.82 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.336 1.446 . . . . 0.0 112.052 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -51.6 -32.59 32.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.063 0.839 . . . . 0.0 114.248 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.71 -2.94 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 127.529 2.331 . . . . 0.0 116.26 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 49.7 tp -95.32 -19.67 19.78 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.419 1.888 . . . . 0.0 113.385 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.63 155.26 81.15 Favored Pre-proline 0 CA--C 1.553 1.069 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -170.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.73 -23.32 63.21 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.511 3.474 . . . . 0.0 114.378 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -55.13 -20.22 9.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.794 1.237 . . . . 0.0 114.144 175.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -122.09 -34.23 3.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.652 1.181 . . . . 0.0 113.5 169.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.15 -24.85 66.73 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -119.74 20.26 12.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.935 1.694 . . . . 0.0 112.782 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -32.41 64.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.35 -1.469 . . . . 0.0 114.463 -171.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -57.84 -57.37 13.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.739 1.216 . . . . 0.0 111.972 170.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -59.94 -41.04 90.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.963 1.305 . . . . 0.0 112.162 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.13 -49.24 76.54 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.988 0.915 . . . . 0.0 111.698 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -58.15 -45.25 87.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.927 0.891 . . . . 0.0 112.473 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -58.32 -47.46 83.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.018 0.927 . . . . 0.0 111.659 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.06 -50.16 74.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.153 0.981 . . . . 0.0 112.277 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.22 -46.83 65.84 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.095 -1.003 . . . . 0.0 111.851 175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.56 -33.88 73.35 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.175 1.39 . . . . 0.0 113.697 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 59.1 mtt -67.22 -22.15 65.72 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 124.01 3.39 8.25 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.755 1.645 . . . . 0.0 115.414 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -94.18 71.88 3.92 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 120.432 2.116 . . . . 0.0 110.474 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -81.02 -8.22 59.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -72.82 84.84 1.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.456 1.502 . . . . 0.0 111.473 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -57.05 -38.2 72.89 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.79 -42.48 99.72 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.102 -0.999 . . . . 0.0 112.425 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -67.29 -50.22 61.18 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.504 1.121 . . . . 0.0 112.47 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -67.28 -32.61 73.73 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 118.315 0.507 . . . . 0.0 112.069 -176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.412 -0.805 . . . . 0.0 110.872 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.03 74.54 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.963 0.801 . . . . 0.0 112.247 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.97 71.53 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 113.169 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.75 -34.45 78.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 120.891 -1.13 . . . . 0.0 112.255 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -62.49 -23.45 66.93 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.485 1.114 . . . . 0.0 113.889 170.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -84.26 -46.49 11.76 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.953 1.301 . . . . 0.0 110.286 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 6.7 p -73.13 -20.23 60.97 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.689 1.596 . . . . 0.0 114.657 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 82.89 17.29 67.99 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.787 1.184 . . . . 0.0 112.861 -173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 94.45 11.88 56.61 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.869 1.223 . . . . 0.0 114.722 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 41.8 t -76.18 123.36 25.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.774 1.287 . . . . 0.0 110.937 169.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.24 -61.46 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.739 1.216 . . . . 0.0 110.927 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.46 -20.95 62.84 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.305 -0.872 . . . . 0.0 112.764 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -66.15 -37.76 93.3 Favored Glycine 0 CA--C 1.536 1.352 0 O-C-N 121.434 -0.791 . . . . 0.0 112.228 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.75 78.56 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.142 0.971 . . . . 0.0 112.868 171.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -30.89 63.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.11 -41.27 78.63 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.852 1.205 . . . . 0.0 112.991 177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 68.6 m -78.92 -39.07 35.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.681 0.792 . . . . 0.0 113.105 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.44 -44.6 82.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.199 1.0 . . . . 0.0 112.722 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.74 -39.95 94.49 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.863 1.265 . . . . 0.0 111.948 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -76.46 -15.46 59.9 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 69.98 22.28 77.09 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.24 1.4 . . . . 0.0 114.298 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.45 -29.34 56.92 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.188 1.395 . . . . 0.0 112.479 169.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.014 0.435 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -139.9 168.74 19.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.54 1.136 . . . . 0.0 110.026 169.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -145.67 167.74 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.847 1.659 . . . . 0.0 110.129 171.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -127.56 147.92 50.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.867 1.667 . . . . 0.0 109.609 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.37 122.3 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.902 0.881 . . . . 0.0 111.173 -174.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.51 121.38 44.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.064 1.345 . . . . 0.0 112.839 -169.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -68.27 166.78 15.73 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 mt -65.68 -34.36 78.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 111.881 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.0 m -67.55 -40.11 84.95 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.434 1.494 . . . . 0.0 112.089 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 132.19 9.31 2.43 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.255 1.407 . . . . 0.0 116.541 170.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -78.29 137.5 38.11 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.428 2.291 . . . . 0.0 110.633 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -110.36 113.09 25.47 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.736 1.214 . . . . 0.0 111.031 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -84.98 155.96 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 126.627 1.971 . . . . 0.0 109.77 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -133.06 134.48 44.4 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.185 1.794 . . . . 0.0 108.972 170.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 29' ' ' LYS . 77.0 mt -134.26 153.64 51.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.636 1.574 . . . . 0.0 112.132 -173.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -112.05 100.21 8.69 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.294 1.438 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -127.98 179.57 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 126.872 2.069 . . . . 0.0 112.068 -173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.07 161.15 23.56 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.269 2.228 . . . . 0.0 110.745 171.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 m -55.59 -20.31 13.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.676 1.19 . . . . 0.0 113.705 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -96.26 -7.47 35.44 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.935 1.694 . . . . 0.0 113.292 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.75 139.81 58.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.521 1.055 . . . . 0.0 110.881 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -76.16 161.1 29.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 112.136 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.54 -44.07 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.419 -0.801 . . . . 0.0 109.736 170.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -50.77 -44.31 58.61 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.613 1.565 . . . . 0.0 113.712 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -63.99 -52.74 58.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 122.037 -0.414 . . . . 0.0 110.456 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 56' ' ' LEU . 61.0 t -56.98 -53.55 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.406 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -34.44 70.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.857 1.208 . . . . 0.0 113.421 176.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -67.76 -19.93 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.897 1.279 . . . . 0.0 113.939 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' HD13 ' A' ' 15' ' ' LEU . 13.5 mmmt -80.26 -29.66 38.37 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.175 -1.578 . . . . 0.0 111.468 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.35 -37.28 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.088 0.858 . . . . 0.0 111.446 170.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -62.83 -18.62 63.1 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.768 0.827 . . . . 0.0 112.366 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -79.06 -26.74 43.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.077 0.951 . . . . 0.0 112.868 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -92.15 -48.85 6.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.73 1.612 . . . . 0.0 112.089 -173.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -133.91 -20.06 1.99 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.739 1.216 . . . . 0.0 113.896 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.55 7.62 34.04 Favored Glycine 0 N--CA 1.474 1.226 0 N-CA-C 116.436 1.335 . . . . 0.0 116.436 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.4 116.34 22.18 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 118.871 1.335 . . . . 0.0 111.361 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -66.63 123.73 11.45 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.078 2.519 . . . . 0.0 112.586 -174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.4 -13.97 42.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.859 3.039 . . . . 0.0 115.358 -173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.06 -21.38 43.49 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.637 1.175 . . . . 0.0 113.044 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.55 -15.82 19.37 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.556 1.542 . . . . 0.0 114.101 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -108.08 161.49 14.91 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.94 163.79 26.74 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 127.668 2.387 . . . . 0.0 108.289 168.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -110.04 146.85 34.63 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.926 0.89 . . . . 0.0 111.046 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -130.67 119.8 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.437 1.895 . . . . 0.0 109.659 -173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -142.02 147.9 37.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.588 1.155 . . . . 0.0 112.723 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.12 33.18 1.05 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.677 2.391 . . . . 0.0 114.623 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.71 16.36 80.21 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.689 1.138 . . . . 0.0 115.299 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -122.06 135.36 54.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.096 2.158 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -77.57 117.86 19.41 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.679 0.791 . . . . 0.0 109.596 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.88 135.33 35.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.976 1.311 . . . . 0.0 111.066 -170.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.67 140.51 29.74 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.932 0.893 . . . . 0.0 111.274 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -38.57 76.18 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.751 1.621 . . . . 0.0 115.045 -169.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.75 -3.94 90.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.311 0.958 . . . . 0.0 115.14 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -77.59 170.44 16.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.193 1.397 . . . . 0.0 111.206 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -109.12 170.11 8.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.938 1.295 . . . . 0.0 111.241 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 26' ' ' VAL . 67.2 mt -60.22 -42.72 95.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.877 0.871 . . . . 0.0 111.604 170.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -57.01 -32.0 65.69 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.432 1.093 . . . . 0.0 113.44 174.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.54 -35.4 72.25 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.281 1.032 . . . . 0.0 113.666 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -102.5 12.69 36.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.648 1.179 . . . . 0.0 112.084 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 55.52 31.36 16.91 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.834 2.053 . . . . 0.0 112.994 -178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.01 129.77 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.77 1.628 . . . . 0.0 109.331 174.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -104.34 171.83 7.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.257 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 149.93 38.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.755 0.788 . . . . 0.0 112.636 169.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 51.48 21.77 1.33 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.816 2.446 . . . . 0.0 114.97 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.9 t -62.88 149.8 43.53 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.156 -0.965 . . . . 0.0 111.364 175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 p -118.22 88.14 2.86 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.914 1.686 . . . . 0.0 111.183 -169.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 174.11 7.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.397 1.479 . . . . 0.0 111.381 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -121.03 149.55 42.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.948 0.899 . . . . 0.0 111.465 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.28 145.51 42.39 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.288 1.035 . . . . 0.0 110.125 169.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.02 133.18 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.086 1.354 . . . . 0.0 111.011 -173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.95 131.23 48.46 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.356 1.062 . . . . 0.0 112.041 -173.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -77.56 -8.14 57.38 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 -172.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.2 -19.08 61.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.731 1.612 . . . . 0.0 114.754 -169.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -62.91 -19.45 64.21 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.588 1.955 . . . . 0.0 115.336 170.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.05 171.93 53.66 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.929 1.252 . . . . 0.0 114.534 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.928 1.728 . . . . 0.0 112.908 -179.691 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 113.615 0.583 . . . . 0.0 113.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -160.82 -84.15 0.05 OUTLIER Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.447 1.022 . . . . 0.0 111.541 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.56 -30.16 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 124.287 1.035 . . . . 0.0 111.382 169.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 23.9 p -69.31 167.8 15.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.455 2.302 . . . . 0.0 113.445 170.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 111.99 -18.77 23.69 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.898 1.713 . . . . 0.0 114.763 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -86.36 -2.91 84.95 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.124 1.345 . . . . 0.0 114.43 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -158.19 177.31 34.94 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 127.797 2.618 . . . . 0.0 111.415 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -148.14 50.58 0.57 Allowed Glycine 0 N--CA 1.472 1.078 0 CA-C-N 117.881 0.841 . . . . 0.0 114.077 -172.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 58.49 -109.02 1.73 Allowed Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.817 1.199 . . . . 0.0 112.092 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -9.54 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.34 -37.11 74.51 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.571 1.148 . . . . 0.0 110.344 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -89.45 135.78 30.63 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.645 1.578 . . . . 0.0 111.635 177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -68.35 -26.53 35.09 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.447 2.764 . . . . 0.0 113.964 -170.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.6 -21.31 62.52 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.199 1.399 . . . . 0.0 114.625 -178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -117.95 -21.07 8.5 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.654 1.182 . . . . 0.0 113.582 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.09 -35.44 73.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.788 0.835 . . . . 0.0 112.056 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -121.4 18.27 11.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.832 1.653 . . . . 0.0 113.827 -170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.2 -36.04 60.54 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.503 -1.373 . . . . 0.0 114.561 -173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -63.78 -54.17 39.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.958 1.303 . . . . 0.0 111.907 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.5 -44.69 93.05 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.523 1.129 . . . . 0.0 112.254 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.93 -47.17 77.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.761 1.225 . . . . 0.0 111.34 173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -50.39 74.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.685 0.794 . . . . 0.0 111.611 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -54.93 -47.67 74.12 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 0.0 111.093 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.87 -53.62 55.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.263 1.025 . . . . 0.0 112.079 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.35 -46.12 69.41 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.077 -1.014 . . . . 0.0 112.095 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.8 -32.59 73.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.957 1.703 . . . . 0.0 112.82 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.92 -28.43 67.48 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.344 1.058 . . . . 0.0 113.198 170.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 133.9 0.36 3.93 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 118.277 -1.291 . . . . 0.0 116.064 -171.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -95.06 79.39 3.57 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.785 2.292 . . . . 0.0 110.879 -171.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -74.48 -8.75 57.34 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.72 75.71 3.38 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.416 1.486 . . . . 0.0 112.763 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -48.04 -53.87 14.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.414 1.485 . . . . 0.0 114.21 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.0 -37.06 85.66 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.375 -0.828 . . . . 0.0 112.813 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -68.61 -42.0 78.73 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.844 1.258 . . . . 0.0 111.575 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -59.88 -47.08 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.942 1.297 . . . . 0.0 110.848 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 39.9 t -55.85 -48.22 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.149 0.98 . . . . 0.0 111.528 172.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.63 73.53 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.021 0.828 . . . . 0.0 112.126 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.65 -50.11 33.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.772 1.229 . . . . 0.0 112.199 173.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.95 -36.81 80.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.742 1.217 . . . . 0.0 112.033 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -55.77 -25.29 40.21 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.41 1.884 . . . . 0.0 115.205 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -116.22 -28.07 6.67 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.16 1.784 . . . . 0.0 113.406 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 60.8 m -70.93 -14.59 62.43 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.538 1.935 . . . . 0.0 114.016 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 83.14 24.34 52.28 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.373 0.987 . . . . 0.0 112.814 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 81.11 7.69 88.22 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.693 1.139 . . . . 0.0 115.158 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 45.8 t -73.77 123.14 23.57 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.204 1.402 . . . . 0.0 111.827 173.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.32 -50.84 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.706 1.202 . . . . 0.0 111.134 173.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . 0.637 HE21 HD21 ' B' ' 365' ' ' LEU . 3.9 mm-40 -64.42 -41.69 96.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.174 0.99 . . . . 0.0 112.052 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.46 -45.28 96.54 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.407 0.527 . . . . 0.0 112.351 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.53 -49.14 76.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.558 0.743 . . . . 0.0 112.156 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . 0.637 HD21 HE21 ' B' ' 362' ' ' GLN 0.257 0.6 OUTLIER -67.67 -31.21 71.02 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.791 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.07 -42.06 97.12 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.575 -0.703 . . . . 0.0 111.481 169.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 63.6 m -63.42 -43.04 98.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 173.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.55 -44.75 95.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.46 1.504 . . . . 0.0 111.741 175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.85 -49.66 73.99 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.164 1.386 . . . . 0.0 112.837 173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -67.77 -15.95 63.88 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.787 1.235 . . . . 0.0 113.779 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 78.43 22.02 68.42 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.153 0.883 . . . . 0.0 113.819 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.23 -14.9 62.82 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.598 1.159 . . . . 0.0 113.331 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 128.695 2.798 . . . . 0.0 111.219 169.43 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -132.21 162.83 29.97 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.468 -1.395 . . . . 0.0 110.78 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -145.59 166.76 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.523 1.929 . . . . 0.0 109.963 170.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -126.27 150.49 48.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.59 1.556 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.73 118.45 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.184 0.994 . . . . 0.0 111.133 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -112.9 118.24 34.35 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.942 1.297 . . . . 0.0 112.548 -170.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.2 p -62.19 168.47 3.36 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.424 1.489 . . . . 0.0 113.657 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -70.47 -37.31 74.26 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.194 169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -59.23 -40.39 85.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.744 2.017 . . . . 0.0 112.029 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 127.07 5.93 5.53 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.011 1.767 . . . . 0.0 116.371 169.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -71.24 137.46 48.65 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 128.094 2.558 . . . . 0.0 110.933 170.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -113.82 115.06 27.16 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.404 1.882 . . . . 0.0 110.429 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -85.23 154.92 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.794 1.638 . . . . 0.0 109.581 169.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 m -133.51 134.77 43.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 108.879 170.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -133.27 157.03 46.46 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.564 1.546 . . . . 0.0 111.91 -173.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -115.03 97.53 6.28 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.523 1.529 . . . . 0.0 110.584 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -128.41 177.72 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.58 1.952 . . . . 0.0 111.935 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -114.22 160.11 19.37 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.838 1.655 . . . . 0.0 109.014 169.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.7 p -60.1 -13.61 12.73 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -92.04 -10.81 37.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.772 1.629 . . . . 0.0 113.709 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.46 146.65 53.77 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.819 1.19 . . . . 0.0 111.925 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -84.86 160.95 20.07 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -58.4 -42.17 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.246 1.018 . . . . 0.0 110.991 173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.85 -43.54 73.17 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.358 1.063 . . . . 0.0 112.866 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.19 -49.81 68.35 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.237 0.615 . . . . 0.0 110.616 176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -53.13 -54.23 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.034 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -48.12 -47.35 34.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.013 0.925 . . . . 0.0 112.396 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 t -65.28 -19.43 65.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.42 1.488 . . . . 0.0 113.474 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.19 -32.97 29.63 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.625 -1.297 . . . . 0.0 111.291 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -56.57 -36.78 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 119.543 1.065 . . . . 0.0 111.157 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -61.0 -19.0 60.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.601 0.76 . . . . 0.0 112.901 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.16 -23.52 38.19 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.218 -0.926 . . . . 0.0 112.971 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -94.47 -49.87 5.48 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.862 1.665 . . . . 0.0 112.053 -173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -133.8 -14.7 2.42 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.863 1.265 . . . . 0.0 113.713 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.78 8.45 48.56 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 115.823 1.089 . . . . 0.0 115.823 169.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.05 121.76 67.84 Favored Pre-proline 0 N--CA 1.473 0.682 0 C-N-CA 125.238 1.415 . . . . 0.0 111.221 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG2' HE21 ' A' ' 40' ' ' GLN . 63.7 Cg_endo -73.95 125.59 9.99 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.898 2.399 . . . . 0.0 112.082 -172.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -63.83 -5.33 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.644 2.896 . . . . 0.0 115.672 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.39 -23.76 22.1 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.719 1.145 . . . . 0.0 112.653 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 37' ' ' PRO . 2.7 mp0 -90.59 -34.21 15.58 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -84.23 152.33 24.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.825 1.297 . . . . 0.0 113.978 -173.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.4 mtt85 -124.25 159.16 30.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 129.906 3.282 . . . . 0.0 109.054 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.98 152.57 37.27 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.082 1.353 . . . . 0.0 110.635 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 49' ' ' GLN . 22.4 mm -136.03 137.95 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.716 1.206 . . . . 0.0 111.668 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -151.44 150.2 30.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.708 1.603 . . . . 0.0 111.815 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.15 33.19 2.33 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.367 2.267 . . . . 0.0 114.561 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 17.02 75.97 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.774 1.654 . . . . 0.0 115.253 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -114.87 143.67 44.75 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.122 2.169 . . . . 0.0 110.744 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' ILE . 17.1 tt0 -80.62 125.67 30.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.493 1.117 . . . . 0.0 110.917 171.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.38 128.26 34.47 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.09 1.356 . . . . 0.0 111.445 -172.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -89.37 142.98 27.17 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.581 1.152 . . . . 0.0 111.641 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -58.94 -39.42 81.59 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -169.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.47 -4.24 89.07 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.188 0.899 . . . . 0.0 114.817 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -80.36 165.88 21.84 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.379 . . . . 0.0 111.551 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -101.63 171.91 7.27 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.817 1.247 . . . . 0.0 111.196 169.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 61' ' ' ILE . 20.5 mt -63.33 -46.83 84.83 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 0.0 110.454 169.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -57.51 -26.64 61.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.923 1.289 . . . . 0.0 114.171 174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.02 -37.14 78.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.433 1.093 . . . . 0.0 113.217 174.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.48 14.95 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.66 1.184 . . . . 0.0 111.788 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 57.72 26.26 12.83 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.291 2.236 . . . . 0.0 113.345 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 56' ' ' LEU . 3.2 mm -57.68 122.67 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.433 1.493 . . . . 0.0 109.756 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -96.13 174.49 6.88 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.858 1.263 . . . . 0.0 110.917 173.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 158.69 12.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.37 -0.831 . . . . 0.0 111.414 169.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.255 9.7 pt-20 49.72 20.74 0.56 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 128.384 2.674 . . . . 0.0 115.363 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 m -63.73 147.99 50.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.917 0.887 . . . . 0.0 111.635 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -114.86 89.16 3.03 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.398 1.479 . . . . 0.0 111.206 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.87 178.35 5.46 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.357 1.463 . . . . 0.0 111.427 -175.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -125.98 153.29 44.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.301 1.04 . . . . 0.0 111.758 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.58 148.07 43.06 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.57 1.148 . . . . 0.0 111.841 169.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.76 117.01 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.943 2.097 . . . . 0.0 109.241 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.82 134.09 34.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.171 0.988 . . . . 0.0 111.829 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -57.65 -21.23 38.7 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.57 -36.42 82.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.589 1.556 . . . . 0.0 113.216 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -59.67 -37.65 79.35 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.273 1.429 . . . . 0.0 113.931 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.18 -163.45 30.47 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.537 1.065 . . . . 0.0 114.83 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.214 0 C-N-CA 126.067 1.794 . . . . 0.0 112.333 177.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 1.004 0 CA-C-O 119.156 -0.435 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -165.97 173.14 41.53 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.512 1.053 . . . . 0.0 113.589 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 49.1 pt -73.61 168.06 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 113.044 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 34.7 m -64.5 163.39 13.52 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.438 1.495 . . . . 0.0 113.15 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -77.1 -8.55 86.93 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 77.62 -179.78 50.5 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.259 1.409 . . . . 0.0 114.371 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 73.12 -174.96 46.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.766 1.174 . . . . 0.0 114.455 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 177.9 178.31 47.32 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.458 1.504 . . . . 0.0 112.543 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -74.61 33.07 1.0 Allowed Glycine 0 N--CA 1.477 1.431 0 C-N-CA 125.796 1.665 . . . . 0.0 116.048 -175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.91 6.16 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 129.323 3.049 . . . . 0.0 112.389 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.97 -47.2 85.9 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.268 1.427 . . . . 0.0 111.779 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -97.63 151.39 37.59 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.509 1.124 . . . . 0.0 112.331 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.64 -30.25 42.53 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.194 2.596 . . . . 0.0 113.134 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.37 -17.39 58.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.086 1.355 . . . . 0.0 114.548 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -117.19 -32.85 4.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.778 1.631 . . . . 0.0 112.834 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 28.0 ttp-105 -60.02 -38.01 81.45 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.873 1.269 . . . . 0.0 113.17 172.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -107.45 21.65 17.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.026 1.331 . . . . 0.0 112.53 -176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.87 -48.9 41.71 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.891 1.276 . . . . 0.0 113.746 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -52.33 -53.64 41.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.38 1.072 . . . . 0.0 112.428 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -62.75 -40.71 98.08 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.656 1.183 . . . . 0.0 112.433 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 51.3 mt -60.51 -45.04 95.28 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.66 1.184 . . . . 0.0 111.53 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.32 84.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.237 1.015 . . . . 0.0 112.089 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.39 -50.04 74.25 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.775 0.716 . . . . 0.0 111.019 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.72 -50.06 73.32 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.634 1.174 . . . . 0.0 112.484 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -53.03 -49.53 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.429 -0.794 . . . . 0.0 111.872 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -64.61 -30.98 72.01 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.889 1.276 . . . . 0.0 113.287 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.39 -31.93 72.49 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.926 0.89 . . . . 0.0 112.045 171.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 137.03 11.05 1.09 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.421 1.486 . . . . 0.0 116.231 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -111.96 86.46 2.35 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.277 2.038 . . . . 0.0 111.442 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -85.73 -7.06 59.01 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -74.17 83.6 1.83 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.634 -1.291 . . . . 0.0 111.339 175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -53.85 -42.86 68.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 113.558 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.2 -40.83 97.4 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.439 0.695 . . . . 0.0 112.828 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -64.04 -48.74 75.11 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.117 0.967 . . . . 0.0 111.732 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -56.4 -48.05 77.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.395 0.678 . . . . 0.0 110.605 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.95 -53.67 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.002 1.321 . . . . 0.0 111.556 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.14 74.08 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.563 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.25 -52.35 23.75 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.206 1.402 . . . . 0.0 112.352 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.24 -40.5 86.09 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.035 1.334 . . . . 0.0 111.976 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -57.57 -26.52 61.59 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -105.55 -30.25 9.65 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.718 1.207 . . . . 0.0 113.037 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 61.8 m -69.8 -8.19 46.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.719 2.008 . . . . 0.0 114.562 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 80.29 21.73 64.28 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.342 0.972 . . . . 0.0 112.544 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 80.17 7.96 88.05 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.258 1.409 . . . . 0.0 114.749 -175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.5 t -70.01 126.16 28.88 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.384 1.592 . . . . 0.0 112.11 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.0 t -54.4 -63.43 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.272 1.429 . . . . 0.0 110.877 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -66.18 -28.97 69.17 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.126 1.371 . . . . 0.0 113.061 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -60.07 -50.87 62.95 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.37 94.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.499 0.72 . . . . 0.0 112.599 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -38.15 77.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.868 1.667 . . . . 0.0 113.062 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.85 -43.63 98.06 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.982 0.81 . . . . 0.0 112.645 172.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.9 m -62.97 -40.64 98.32 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.752 0.821 . . . . 0.0 112.417 174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.48 -40.98 89.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.153 1.381 . . . . 0.0 112.509 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.61 -45.83 92.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.142 1.377 . . . . 0.0 111.885 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -70.22 -18.59 63.17 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.71 23.95 77.35 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.189 1.376 . . . . 0.0 114.225 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.05 -36.26 69.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.203 1.001 . . . . 0.0 113.661 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.25 1.095 0 C-N-CA 126.005 1.722 . . . . 0.0 113.118 173.009 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptt? . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.48 161.85 31.59 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.913 -1.117 . . . . 0.0 110.791 169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.66 164.87 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.191 1.797 . . . . 0.0 109.898 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.46 148.68 47.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.081 1.352 . . . . 0.0 109.956 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.08 123.16 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.709 0.804 . . . . 0.0 111.805 -173.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.4 OUTLIER -115.6 116.29 27.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.432 1.493 . . . . 0.0 112.754 -169.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -77.06 169.88 17.54 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.102 -0.999 . . . . 0.0 113.455 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.37 -38.43 86.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.58 1.552 . . . . 0.0 112.907 174.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.1 m -61.13 -37.13 81.73 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.905 1.282 . . . . 0.0 112.312 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 126.88 7.2 5.19 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.267 1.413 . . . . 0.0 115.764 169.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -78.84 134.89 36.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.114 1.766 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -104.45 116.52 32.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.602 1.561 . . . . 0.0 110.544 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.2 157.89 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.627 1.971 . . . . 0.0 110.064 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -130.08 135.29 48.07 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.958 1.703 . . . . 0.0 108.729 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -132.51 163.42 28.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.941 1.696 . . . . 0.0 111.334 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -120.3 100.71 7.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.48 1.512 . . . . 0.0 111.178 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.7 m -130.78 177.27 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 126.471 1.908 . . . . 0.0 112.095 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -114.16 165.32 12.78 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.835 1.654 . . . . 0.0 110.296 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -57.8 -19.96 32.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.387 1.075 . . . . 0.0 113.311 172.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -102.87 -4.55 24.67 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.031 1.733 . . . . 0.0 113.417 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.47 158.74 28.74 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.464 1.029 . . . . 0.0 110.697 169.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 p -90.83 161.14 15.39 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.457 -0.777 . . . . 0.0 112.969 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -58.61 -41.93 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.19 -0.944 . . . . 0.0 110.62 170.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -55.16 -40.58 70.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.255 1.022 . . . . 0.0 113.265 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.31 -46.98 81.2 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 123.438 0.695 . . . . 0.0 110.756 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 56' ' ' LEU . 93.7 t -53.95 -52.33 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 118.646 -0.693 . . . . 0.0 110.348 178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.21 -46.99 35.77 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 118.888 0.767 . . . . 0.0 112.3 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -65.06 -16.23 63.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.112 1.765 . . . . 0.0 113.787 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -89.18 -33.52 17.0 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.762 -1.211 . . . . 0.0 111.106 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -55.83 -35.68 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 119.334 0.97 . . . . 0.0 110.824 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -62.05 -17.19 56.62 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.737 0.815 . . . . 0.0 112.887 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -81.43 -22.89 37.89 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.178 0.991 . . . . 0.0 113.186 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -101.7 -42.72 6.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.982 1.713 . . . . 0.0 112.564 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.89 -22.11 2.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.366 1.466 . . . . 0.0 113.507 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.88 8.18 55.82 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 115.133 0.813 . . . . 0.0 115.133 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.19 123.08 76.74 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.621 1.168 . . . . 0.0 110.714 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.55 127.09 15.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.993 2.462 . . . . 0.0 111.248 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.02 -2.2 3.49 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.325 2.684 . . . . 0.0 116.134 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -85.03 -36.34 21.33 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.119 1.327 . . . . 0.0 111.905 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.25 -34.14 61.38 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 121.565 -0.71 . . . . 0.0 112.663 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -91.34 155.84 18.21 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.49 161.64 33.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 128.652 2.781 . . . . 0.0 109.181 169.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.27 151.05 25.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.996 0.919 . . . . 0.0 110.61 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mm -131.39 117.15 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.852 1.661 . . . . 0.0 109.576 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -138.51 143.47 39.55 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.89 1.276 . . . . 0.0 111.051 170.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 31.44 2.91 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.717 1.607 . . . . 0.0 113.387 -170.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.76 -5.34 24.36 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.23 2.347 . . . . 0.0 115.611 -174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -86.82 134.97 33.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.545 1.538 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.95 109.66 9.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.049 0.94 . . . . 0.0 110.297 169.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.16 135.83 46.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.155 1.382 . . . . 0.0 111.321 -170.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -85.55 141.02 30.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.966 0.906 . . . . 0.0 111.206 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.4 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.52 -3.2 90.08 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.221 0.915 . . . . 0.0 114.545 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -80.08 170.71 16.07 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.925 1.29 . . . . 0.0 111.278 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -106.73 171.33 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.712 1.205 . . . . 0.0 111.746 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 61' ' ' ILE . 2.5 mm? -58.27 -47.98 81.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.63 0.772 . . . . 0.0 110.724 169.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -57.79 -30.14 65.43 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.562 1.145 . . . . 0.0 113.612 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.97 -37.92 69.69 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.853 1.261 . . . . 0.0 113.611 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -102.66 13.54 34.22 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.748 1.219 . . . . 0.0 112.328 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 63.08 24.79 14.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.971 1.309 . . . . 0.0 112.034 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 56' ' ' LEU . 3.4 mm -63.84 128.24 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 171.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -127.97 -177.68 4.22 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.768 1.627 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 143.22 46.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 122.363 1.078 . . . . 0.0 111.911 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 57.93 19.0 5.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.233 2.213 . . . . 0.0 115.264 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 m -60.6 143.94 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.047 -1.033 . . . . 0.0 111.196 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -113.4 86.51 2.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.943 1.697 . . . . 0.0 111.308 -172.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.8 176.73 6.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.015 1.326 . . . . 0.0 111.48 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 25.6 m80 -123.19 151.06 42.57 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.089 0.955 . . . . 0.0 111.715 173.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -113.5 145.85 40.55 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.181 0.992 . . . . 0.0 109.987 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.43 146.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.98 1.712 . . . . 0.0 109.855 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.45 146.43 43.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.866 0.866 . . . . 0.0 111.752 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -58.5 -21.85 53.27 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.872 1.269 . . . . 0.0 113.877 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.29 -48.76 75.97 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.442 2.297 . . . . 0.0 112.334 178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 54.62 -69.78 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 129.222 3.009 . . . . 0.0 115.224 -177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.74 67.78 3.32 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 126.352 1.93 . . . . 0.0 113.318 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 126.451 1.977 . . . . 0.0 112.438 178.816 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo . . . . . 0 CA--C 1.545 1.06 0 N-CA-C 116.423 1.663 . . . . 0.0 116.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 71.84 -0.69 35.35 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.891 1.517 . . . . 0.0 116.891 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 20.0 pt -48.96 113.31 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.238 1.815 . . . . 0.0 112.058 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 87.0 p 48.95 18.87 0.23 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.969 2.508 . . . . 0.0 116.489 -174.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -147.31 16.63 1.49 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 170.48 172.61 37.02 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-N 120.768 2.284 . . . . 0.0 116.812 169.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -165.32 172.39 40.88 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 127.173 2.321 . . . . 0.0 112.022 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 53.23 72.6 0.51 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.239 1.876 . . . . 0.0 116.715 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 80.44 -59.0 4.66 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.879 1.228 . . . . 0.0 112.908 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.8 25.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.762 2.025 . . . . 0.0 112.781 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.56 -6.65 2.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.652 2.781 . . . . 0.0 117.478 -169.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -135.53 142.59 41.7 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 119.712 1.142 . . . . 0.0 111.834 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.81 -27.32 31.4 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.645 2.897 . . . . 0.0 113.467 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.4 -44.16 72.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.434 1.894 . . . . 0.0 112.72 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.6 -25.71 15.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.552 0.741 . . . . 0.0 112.811 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 -67.69 -40.66 84.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.355 1.062 . . . . 0.0 112.721 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -109.5 19.35 19.39 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.108 1.763 . . . . 0.0 112.725 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -43.95 -56.57 3.85 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.397 1.479 . . . . 0.0 113.713 -172.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -47.95 -55.25 10.4 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.634 1.174 . . . . 0.0 112.998 173.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -61.89 -42.04 98.6 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.122 1.769 . . . . 0.0 111.45 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 48.2 mt -60.6 -49.3 78.1 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.329 1.452 . . . . 0.0 111.789 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -35.83 81.57 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.704 0.802 . . . . 0.0 112.83 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -57.72 -53.6 56.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.726 0.693 . . . . 0.0 110.49 171.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.16 -49.83 74.72 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.62 0.768 . . . . 0.0 112.296 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -51.47 -56.65 12.15 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.072 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -68.9 -28.42 66.66 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 70.5 mtm -68.52 -25.19 64.82 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.603 -0.685 . . . . 0.0 112.592 169.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 145.22 4.18 0.59 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.968 1.547 . . . . 0.0 116.968 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -103.98 80.5 1.75 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.539 2.17 . . . . 0.0 111.193 -171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -68.14 -13.59 62.34 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -73.7 82.12 1.57 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.064 1.345 . . . . 0.0 112.317 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -48.85 -48.62 41.73 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.47 -42.07 91.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.074 1.35 . . . . 0.0 113.366 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -65.99 -45.13 82.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.774 0.83 . . . . 0.0 111.162 173.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.61 -42.8 93.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.025 0.53 . . . . 0.0 111.647 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 29.6 t -55.97 -51.92 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.395 1.078 . . . . 0.0 111.441 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.84 -35.04 75.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.157 0.889 . . . . 0.0 112.513 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.97 -45.84 59.58 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.562 1.545 . . . . 0.0 113.12 174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.37 -37.24 84.84 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.903 -1.123 . . . . 0.0 112.243 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -50.95 -56.9 10.16 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.967 1.307 . . . . 0.0 112.216 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -72.79 -33.94 66.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.568 1.147 . . . . 0.0 113.518 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 33.4 t -63.74 -35.19 79.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.837 1.255 . . . . 0.0 113.269 174.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.72 19.06 32.9 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.162 1.363 . . . . 0.0 113.507 -172.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 92.27 -2.58 74.98 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.119 1.818 . . . . 0.0 114.708 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 37.7 m -73.28 117.58 15.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.234 1.517 . . . . 0.0 111.785 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.25 -61.29 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 126.155 1.782 . . . . 0.0 112.094 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . 0.435 HE21 HD13 ' B' ' 365' ' ' LEU . 7.1 mm-40 -60.15 -34.28 73.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 113.242 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.36 -42.52 95.99 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.833 0.73 . . . . 0.0 112.544 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.42 -39.61 92.32 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.6 0.76 . . . . 0.0 112.182 171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . 0.435 HD13 HE21 ' B' ' 362' ' ' GLN . 0.4 OUTLIER -57.64 -44.73 85.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.97 1.708 . . . . 0.0 112.152 176.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -44.58 88.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.666 0.786 . . . . 0.0 112.612 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 67.6 m -62.77 -43.39 98.92 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.642 0.777 . . . . 0.0 112.347 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.5 -41.38 98.53 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.06 1.344 . . . . 0.0 112.387 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.3 -40.82 94.29 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.584 1.154 . . . . 0.0 112.235 175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -74.9 -15.69 60.69 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 70.55 24.85 76.51 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.383 0.992 . . . . 0.0 113.662 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.78 -24.47 65.32 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.121 1.769 . . . . 0.0 114.084 -173.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.828 2.451 . . . . 0.0 114.804 -176.324 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.455 0.645 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -139.01 167.13 22.73 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.023 1.729 . . . . 0.0 109.639 170.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.81 168.61 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 126.424 1.89 . . . . 0.0 109.979 169.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -126.96 148.06 50.09 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.587 1.555 . . . . 0.0 109.837 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.24 128.83 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.648 0.779 . . . . 0.0 111.595 -175.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -114.58 122.09 45.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.889 1.276 . . . . 0.0 112.8 -169.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 p -70.54 165.55 22.45 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.888 0.875 . . . . 0.0 112.905 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -68.87 -30.71 69.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.983 0.913 . . . . 0.0 111.965 169.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -65.82 -40.83 92.2 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.39 1.476 . . . . 0.0 111.746 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.93 11.97 2.49 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.227 1.394 . . . . 0.0 116.386 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -82.56 134.79 35.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.139 1.775 . . . . 0.0 110.94 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -100.23 116.32 31.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.315 1.446 . . . . 0.0 110.333 171.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.25 158.89 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.986 2.114 . . . . 0.0 109.826 171.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -131.96 134.02 45.15 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.907 1.683 . . . . 0.0 109.172 170.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.7 mt -131.13 153.99 48.8 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.66 1.584 . . . . 0.0 111.641 -176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -109.25 99.02 8.35 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.214 1.406 . . . . 0.0 110.996 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -125.87 176.47 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.373 1.869 . . . . 0.0 111.928 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -111.29 164.72 12.6 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.015 1.726 . . . . 0.0 109.746 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.9 p -61.3 -17.1 52.0 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.104 -0.998 . . . . 0.0 113.376 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -101.71 -4.56 26.27 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.271 1.828 . . . . 0.0 113.679 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.36 152.18 41.99 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.509 1.05 . . . . 0.0 111.057 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.9 p -83.19 158.3 22.39 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.485 -0.759 . . . . 0.0 112.49 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE3' ' A' ' 27' ' ' LYS . 28.6 mm -56.45 -41.72 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.735 1.214 . . . . 0.0 110.399 170.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -54.21 -43.88 71.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.533 1.133 . . . . 0.0 113.198 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.98 -47.26 81.05 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.455 0.702 . . . . 0.0 110.905 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 56' ' ' LEU . 60.6 t -55.24 -51.7 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.019 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HE3' HG22 ' A' ' 23' ' ' ILE . 80.5 mttt -50.68 -47.1 58.96 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.154 0.888 . . . . 0.0 111.676 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -65.0 -14.53 60.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.623 1.969 . . . . 0.0 113.505 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -87.93 -33.35 18.49 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.308 1.043 . . . . 0.0 111.284 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 mp -56.93 -34.42 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 119.957 1.253 . . . . 0.0 111.018 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.87 -17.0 54.94 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.737 0.815 . . . . 0.0 112.967 177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.85 -21.21 34.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.22 1.008 . . . . 0.0 113.236 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -101.64 -40.4 7.02 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.453 1.901 . . . . 0.0 112.606 -171.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.43 -23.35 1.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.612 1.565 . . . . 0.0 113.702 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 6.93 54.86 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.87 117.82 26.7 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 125.106 1.362 . . . . 0.0 111.006 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.8 122.18 9.09 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.15 2.567 . . . . 0.0 111.995 -172.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.37 -11.18 24.4 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 124.121 3.214 . . . . 0.0 115.164 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -70.04 -35.32 74.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.322 1.049 . . . . 0.0 111.958 169.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.448 HE21 HD21 ' A' ' 73' ' ' LEU . 21.6 mt-30 -99.21 -18.71 17.5 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 -169.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -98.02 155.88 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -129.32 159.08 37.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 127.772 2.429 . . . . 0.0 108.832 169.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.71 148.63 28.18 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.547 0.739 . . . . 0.0 110.201 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mm -133.18 113.28 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.41 1.484 . . . . 0.0 109.608 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -141.23 148.65 40.22 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.657 1.183 . . . . 0.0 112.509 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.89 37.59 2.44 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 127.835 2.454 . . . . 0.0 114.091 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.83 79.68 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.162 1.363 . . . . 0.0 115.425 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -128.78 150.04 50.47 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.141 1.777 . . . . 0.0 111.786 -177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.05 117.31 25.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.624 1.17 . . . . 0.0 110.521 173.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.03 130.34 36.35 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.656 1.182 . . . . 0.0 110.761 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -86.07 142.19 28.89 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.772 0.796 . . . . 0.0 111.303 -173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.08 -34.07 72.94 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.65 -4.57 90.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.388 0.994 . . . . 0.0 114.616 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.25 171.66 14.57 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.928 1.291 . . . . 0.0 110.602 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.7 p -109.59 -179.96 3.97 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.54 1.536 . . . . 0.0 112.349 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 26' ' ' VAL . 2.9 mm? -64.57 -46.17 83.89 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 168.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.9 p -58.73 -30.27 67.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.086 1.354 . . . . 0.0 114.64 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.3 -25.86 66.08 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.236 1.414 . . . . 0.0 113.843 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -113.19 15.77 19.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.676 1.19 . . . . 0.0 112.309 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 t30 54.54 30.43 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.254 2.221 . . . . 0.0 113.09 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mm -55.05 128.84 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.148 1.379 . . . . 0.0 109.024 175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -100.96 170.05 8.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.594 1.158 . . . . 0.0 111.081 175.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 150.92 30.83 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.581 0.705 . . . . 0.0 111.687 170.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 54.54 18.81 2.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.313 2.245 . . . . 0.0 114.925 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 t -64.9 150.53 47.62 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.19 -0.944 . . . . 0.0 111.472 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 p -116.69 88.46 2.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.043 1.737 . . . . 0.0 111.328 -170.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.95 172.84 7.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.034 1.334 . . . . 0.0 111.826 -175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -116.74 150.92 37.44 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.397 1.079 . . . . 0.0 111.346 170.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.77 144.91 42.74 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.246 1.019 . . . . 0.0 109.438 168.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.0 m -132.28 141.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.865 1.266 . . . . 0.0 110.534 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.51 151.18 21.87 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.162 0.985 . . . . 0.0 111.749 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -81.21 -12.46 59.14 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.688 1.595 . . . . 0.0 115.181 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 73' ' ' LEU . 1.4 mm? -68.27 151.96 46.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.157 0.983 . . . . 0.0 110.775 177.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -138.96 92.38 2.6 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.261 1.425 . . . . 0.0 111.191 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.14 7.66 88.23 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 124.956 1.265 . . . . 0.0 115.894 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.141 0 C-N-CA 125.717 1.627 . . . . 0.0 112.851 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.484 0.913 0 N-CA-C 113.217 0.429 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 85.33 -1.2 88.62 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 170.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 46.2 pt -69.17 164.6 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.724 1.262 . . . . 0.0 112.388 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 48.9 m -61.2 129.02 39.25 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.757 1.223 . . . . 0.0 112.288 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -115.94 172.47 14.23 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.645 1.593 . . . . 0.0 113.734 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 150.35 -174.18 29.8 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 125.45 1.5 . . . . 0.0 113.44 -178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 70.75 27.64 72.06 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 123.913 0.768 . . . . 0.0 114.647 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 140.5 167.91 11.2 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.863 1.697 . . . . 0.0 111.353 -169.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 69.63 -82.53 0.29 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.511 1.053 . . . . 0.0 110.531 -170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 43.1 pt -62.12 -10.98 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 174.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 40.1 mt -99.87 -11.99 20.25 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.52 1.528 . . . . 0.0 113.891 175.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -87.83 143.57 33.67 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 124.206 1.002 . . . . 0.0 112.279 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.41 -26.6 70.76 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.842 3.028 . . . . 0.0 114.408 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.49 -19.4 36.85 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.594 1.558 . . . . 0.0 114.803 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -133.95 -23.03 1.79 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.54 -24.3 65.27 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 121.014 -1.054 . . . . 0.0 112.865 170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -115.95 24.08 11.74 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.481 1.912 . . . . 0.0 113.194 175.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -46.57 -48.22 19.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.141 1.377 . . . . 0.0 114.251 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -55.14 -53.77 51.71 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.47 1.108 . . . . 0.0 112.53 175.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -62.69 -43.92 97.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.168 0.987 . . . . 0.0 111.954 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 90.5 mt -56.06 -46.83 78.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.327 1.051 . . . . 0.0 111.307 172.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 59.6 ttt85 -61.44 -44.38 97.22 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.91 1.284 . . . . 0.0 112.776 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.34 -51.64 67.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.665 0.786 . . . . 0.0 110.532 173.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.32 -52.88 62.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.61 1.164 . . . . 0.0 112.555 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -51.63 -50.35 60.45 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.083 -1.01 . . . . 0.0 112.305 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.54 -25.07 67.28 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 24.1 mtt -70.16 -21.57 63.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.898 0.879 . . . . 0.0 113.105 169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 125.0 3.5 7.51 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.306 1.431 . . . . 0.0 115.542 -171.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -98.07 80.97 2.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.855 2.328 . . . . 0.0 110.888 -172.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -84.65 -7.3 59.28 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.55 80.76 1.97 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.611 1.565 . . . . 0.0 111.236 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -54.39 -41.04 68.77 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.064 -1.022 . . . . 0.0 113.73 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.85 -43.31 94.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.582 0.753 . . . . 0.0 112.508 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -66.35 -45.14 81.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.099 0.96 . . . . 0.0 111.341 174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -59.31 -45.84 90.22 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.46 0.704 . . . . 0.0 111.18 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.36 -52.38 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.334 1.054 . . . . 0.0 111.076 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.94 76.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.024 0.829 . . . . 0.0 112.535 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.02 -46.61 64.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.578 1.951 . . . . 0.0 112.322 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.66 -39.73 95.08 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.922 0.889 . . . . 0.0 111.541 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -58.15 -51.0 71.54 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.231 1.013 . . . . 0.0 112.994 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -71.81 -33.11 68.26 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 43.0 t -61.44 -40.56 94.91 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.38 1.472 . . . . 0.0 113.055 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 101.29 17.17 23.03 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.403 1.478 . . . . 0.0 114.036 -172.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.57 -0.65 56.83 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.274 1.892 . . . . 0.0 114.937 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.5 m -85.96 128.16 34.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.291 1.437 . . . . 0.0 112.253 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.83 -58.47 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.502 1.521 . . . . 0.0 111.93 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . 0.58 HE21 HD13 ' B' ' 365' ' ' LEU . 3.2 mm-40 -62.2 -31.29 71.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.77 -38.24 76.52 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.564 0.602 . . . . 0.0 112.757 173.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.73 87.36 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.803 -0.822 . . . . 0.0 111.88 169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . 0.58 HD13 HE21 ' B' ' 362' ' ' GLN . 0.5 OUTLIER -57.63 -46.63 83.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.885 1.674 . . . . 0.0 111.961 174.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.75 -42.54 84.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.996 0.918 . . . . 0.0 112.627 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 61.5 m -62.29 -45.36 93.59 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.922 0.889 . . . . 0.0 112.246 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.3 -45.62 92.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.166 1.387 . . . . 0.0 112.215 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.64 -44.52 96.06 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.409 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -70.25 -17.66 63.12 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.372 1.069 . . . . 0.0 113.561 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 76.7 24.55 67.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.518 1.056 . . . . 0.0 113.603 -176.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.09 -17.82 63.91 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.799 1.64 . . . . 0.0 113.687 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.131 0 C-N-CA 128.058 2.543 . . . . 0.0 113.177 179.158 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 121.452 0.644 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -136.31 165.4 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.708 1.603 . . . . 0.0 109.979 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 167.09 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.248 1.819 . . . . 0.0 110.161 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.05 150.18 48.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 109.799 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.2 126.09 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.817 0.847 . . . . 0.0 111.157 -175.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -115.66 123.1 47.51 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.052 1.341 . . . . 0.0 112.992 -169.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.65 164.02 22.49 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 121.256 -0.902 . . . . 0.0 113.168 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -66.43 -30.44 70.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.903 0.881 . . . . 0.0 111.891 169.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -69.13 -41.79 76.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.435 1.494 . . . . 0.0 111.982 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.535 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 135.06 9.9 1.61 Allowed Glycine 0 CA--C 1.539 1.56 0 N-CA-C 117.034 1.574 . . . . 0.0 117.034 170.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -80.24 134.16 36.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 110.896 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -104.72 116.86 32.76 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.211 1.404 . . . . 0.0 110.71 174.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.73 157.22 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.416 2.287 . . . . 0.0 109.779 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -133.55 134.83 43.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.879 1.671 . . . . 0.0 109.269 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -134.75 159.43 41.33 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.971 1.708 . . . . 0.0 111.968 -172.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -116.3 101.68 8.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.589 1.556 . . . . 0.0 111.128 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 m -128.71 176.64 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 126.313 1.845 . . . . 0.0 112.27 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.5 165.25 12.95 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.061 1.744 . . . . 0.0 110.468 169.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 m -57.87 -21.63 44.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.191 0.996 . . . . 0.0 113.128 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -100.48 -5.84 26.41 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.428 1.891 . . . . 0.0 113.365 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.59 159.07 25.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.269 0.94 . . . . 0.0 111.079 169.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -96.95 162.66 13.3 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.88 -41.72 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.998 0.919 . . . . 0.0 110.934 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -55.14 -43.14 73.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.465 1.106 . . . . 0.0 112.932 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.64 -49.63 70.27 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.257 0.623 . . . . 0.0 110.648 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.9 t -52.83 -54.67 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.617 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -46.83 -47.29 21.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.216 0.917 . . . . 0.0 112.551 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -66.45 -13.04 60.23 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.809 1.644 . . . . 0.0 113.966 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -88.72 -31.73 18.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.611 1.096 . . . . 0.0 111.366 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.01 -36.29 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.196 0.907 . . . . 0.0 110.939 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -62.31 -16.88 56.83 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.117 0.967 . . . . 0.0 112.902 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.81 -22.5 42.99 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.135 -0.978 . . . . 0.0 113.164 172.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -100.99 -45.49 5.4 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.206 1.802 . . . . 0.0 112.345 -169.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.09 -15.43 3.32 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.309 1.444 . . . . 0.0 113.522 -176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.14 61.39 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.225 0.917 . . . . 0.0 115.305 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.87 119.19 55.93 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.633 1.573 . . . . 0.0 110.859 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.49 127.88 15.46 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.967 2.445 . . . . 0.0 113.161 -170.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.74 -8.24 17.09 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.879 3.052 . . . . 0.0 116.32 -175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.99 -14.71 27.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.048 1.294 . . . . 0.0 112.38 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.92 -28.36 15.86 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -92.82 154.61 18.16 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 122.714 1.245 . . . . 0.0 114.019 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -125.99 160.33 30.3 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 129.966 3.306 . . . . 0.0 109.184 170.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -118.55 152.11 36.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.326 1.05 . . . . 0.0 111.553 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mm -135.85 125.86 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.211 1.805 . . . . 0.0 110.314 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -147.51 150.39 34.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.881 1.272 . . . . 0.0 112.37 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.08 34.33 2.81 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.861 2.064 . . . . 0.0 114.032 -176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.24 34.24 88.55 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.031 1.777 . . . . 0.0 114.24 -174.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -128.5 140.6 51.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.018 2.127 . . . . 0.0 111.01 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.23 108.69 15.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.414 1.086 . . . . 0.0 109.695 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.19 130.73 41.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.399 1.48 . . . . 0.0 112.511 -172.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.66 143.74 27.47 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.315 1.046 . . . . 0.0 112.074 -175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.93 -40.52 80.67 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -169.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.81 -3.67 89.26 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.218 0.913 . . . . 0.0 114.849 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -78.72 165.9 23.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.878 1.271 . . . . 0.0 111.308 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.6 p -103.42 170.99 7.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.376 1.471 . . . . 0.0 112.016 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.89 -46.6 88.82 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.45 0.7 . . . . 0.0 110.124 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -58.95 -26.65 64.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.27 -36.44 77.84 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.577 1.151 . . . . 0.0 113.254 176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -101.61 14.73 31.1 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.663 1.185 . . . . 0.0 111.785 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 57.22 26.99 12.9 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.953 2.101 . . . . 0.0 113.269 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.73 127.43 12.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.82 1.648 . . . . 0.0 109.689 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -101.84 172.65 6.81 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.158 1.383 . . . . 0.0 111.283 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 150.1 36.81 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.267 -0.895 . . . . 0.0 111.359 169.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 53.9 23.14 3.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.912 2.085 . . . . 0.0 114.775 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -61.04 148.69 39.39 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.253 -0.905 . . . . 0.0 111.192 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p -116.22 84.16 2.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.388 1.475 . . . . 0.0 111.107 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.45 176.85 6.55 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.184 1.394 . . . . 0.0 111.322 -175.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -125.9 154.78 42.28 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.164 0.986 . . . . 0.0 111.956 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 148.06 43.76 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.983 1.313 . . . . 0.0 112.579 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.7 t -131.94 111.17 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 127.733 2.413 . . . . 0.0 109.746 -169.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.06 132.63 35.11 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.637 0.775 . . . . 0.0 111.761 175.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -72.04 -10.44 59.79 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.844 1.657 . . . . 0.0 115.261 177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -137.09 173.95 11.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.013 2.125 . . . . 0.0 112.346 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -61.57 -15.16 36.28 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.48 -13.71 5.63 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 126.272 1.892 . . . . 0.0 115.64 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.449 0 C-N-CA 125.947 1.737 . . . . 0.0 114.233 176.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo . . . . . 0 N--CA 1.487 1.12 0 N-CA-C 112.86 0.292 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -78.61 54.79 4.1 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.42 1.486 . . . . 0.0 114.334 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.05 94.86 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.0 1.72 . . . . 0.0 109.441 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 18.2 t -56.8 -34.86 68.08 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.143 1.377 . . . . 0.0 113.935 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -85.04 -0.42 88.95 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.824 1.202 . . . . 0.0 115.299 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -87.77 -14.21 63.5 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 118.869 1.335 . . . . 0.0 115.504 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 159.86 -174.22 36.65 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.803 1.301 . . . . 0.0 114.075 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 178.69 23.3 0.03 OUTLIER Glycine 0 CA--C 1.538 1.489 0 C-N-CA 125.122 1.344 . . . . 0.0 114.748 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 81.7 -85.89 1.42 Allowed Glycine 0 CA--C 1.528 0.87 0 C-N-CA 125.562 1.553 . . . . 0.0 110.239 -170.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.2 pt -71.04 -0.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.63 1.172 . . . . 0.0 114.133 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 96.0 mt -114.9 5.91 15.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.775 2.03 . . . . 0.0 113.31 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -67.5 149.88 98.13 Favored Pre-proline 0 CA--C 1.55 0.961 0 O-C-N 121.294 -0.879 . . . . 0.0 113.081 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -66.6 -26.86 46.18 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.406 2.737 . . . . 0.0 113.898 -172.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.24 -19.2 32.17 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -119.21 -39.25 2.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.815 1.246 . . . . 0.0 113.095 170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -69.67 -21.05 63.56 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -118.94 19.64 12.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.39 1.476 . . . . 0.0 112.962 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.54 -54.32 9.59 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.809 1.243 . . . . 0.0 113.759 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -53.05 -50.42 64.33 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.731 1.212 . . . . 0.0 112.706 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -63.3 -43.66 97.2 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.975 0.91 . . . . 0.0 112.54 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 59.0 mt -54.67 -47.96 72.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.955 1.302 . . . . 0.0 111.034 171.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.5 -43.98 97.5 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 112.943 177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -59.49 -48.71 80.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.19 0.996 . . . . 0.0 111.161 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.2 -52.77 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.19 0.996 . . . . 0.0 112.021 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.86 -52.9 46.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.227 0.611 . . . . 0.0 111.698 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.85 -29.21 69.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.44 -19.91 61.49 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 136.28 4.38 2.27 Favored Glycine 0 CA--C 1.538 1.505 0 N-CA-C 116.561 1.384 . . . . 0.0 116.561 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -102.29 77.1 1.62 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.345 2.072 . . . . 0.0 111.454 -169.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -80.25 -10.85 59.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -70.73 85.88 0.66 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.748 1.619 . . . . 0.0 111.519 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.3 -53.19 61.1 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -171.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.9 -35.01 73.95 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 112.654 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -67.44 -51.64 49.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.068 1.347 . . . . 0.0 112.142 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -68.1 -28.17 67.11 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.645 -0.659 . . . . 0.0 112.568 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.33 -48.18 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.228 1.011 . . . . 0.0 110.248 169.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.8 91.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.655 0.661 . . . . 0.0 110.979 177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.26 1.024 . . . . 0.0 112.536 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.16 -35.94 81.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.699 0.799 . . . . 0.0 112.055 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -62.37 -41.24 98.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.195 0.998 . . . . 0.0 113.265 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -66.22 -45.0 82.21 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 119.532 1.06 . . . . 0.0 111.381 173.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 40.3 t -62.58 -40.37 96.67 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.368 2.267 . . . . 0.0 113.911 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.23 20.9 34.15 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.56 1.076 . . . . 0.0 112.891 -169.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.38 56.63 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.289 1.423 . . . . 0.0 116.335 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.0 t -85.24 131.42 34.43 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.725 1.763 . . . . 0.0 111.967 173.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.64 -51.3 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.789 1.636 . . . . 0.0 111.139 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.49 -44.39 94.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 112.031 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.4 96.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 123.121 0.391 . . . . 0.0 112.763 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.88 39.95 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.896 0.848 . . . . 0.0 111.672 173.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . 0.271 1.2 pp -64.98 -27.08 68.59 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.39 -46.34 90.59 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 119.203 0.911 . . . . 0.0 111.583 169.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 66.4 m -60.93 -40.22 92.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.11 0.964 . . . . 0.0 112.829 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.59 -42.79 91.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.309 1.044 . . . . 0.0 112.338 177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.32 -49.39 78.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.344 1.457 . . . . 0.0 111.579 170.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.01 -18.0 64.58 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.671 1.189 . . . . 0.0 113.893 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 75.41 22.87 74.9 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.082 0.849 . . . . 0.0 113.946 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.39 -26.47 66.46 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.435 1.094 . . . . 0.0 113.189 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.251 1.145 0 C-N-CA 128.475 2.71 . . . . 0.0 111.25 169.697 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.4 0.619 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -137.68 165.57 26.05 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.451 1.5 . . . . 0.0 110.118 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.41 166.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.447 1.899 . . . . 0.0 109.94 170.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -126.55 148.23 49.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.876 1.671 . . . . 0.0 109.876 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.85 123.51 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.944 0.897 . . . . 0.0 111.642 -173.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.3 tmtp? -112.95 115.08 27.85 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.092 1.357 . . . . 0.0 112.348 -170.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -77.58 162.29 27.2 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.433 -0.792 . . . . 0.0 112.49 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.83 -32.94 69.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.977 1.711 . . . . 0.0 113.243 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.1 m -65.04 -37.12 86.55 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.208 1.403 . . . . 0.0 112.417 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 129.52 8.57 3.51 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.124 1.345 . . . . 0.0 115.903 170.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.88 133.59 34.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.259 1.824 . . . . 0.0 111.123 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 m -101.3 114.0 27.59 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.538 1.535 . . . . 0.0 110.632 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -85.22 156.49 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 126.419 1.888 . . . . 0.0 109.5 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -133.44 132.96 41.72 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.924 1.689 . . . . 0.0 108.881 171.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.4 mt -132.77 154.32 50.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.553 1.541 . . . . 0.0 111.966 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -109.77 98.72 8.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.394 1.478 . . . . 0.0 110.814 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.71 177.32 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.279 1.831 . . . . 0.0 112.054 -177.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -114.31 165.89 12.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.258 1.823 . . . . 0.0 110.46 169.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -58.46 -20.22 43.36 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.268 1.027 . . . . 0.0 113.068 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -103.33 -4.54 24.08 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.332 1.853 . . . . 0.0 113.481 -174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -64.7 152.39 42.55 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.408 1.004 . . . . 0.0 110.725 169.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -86.43 160.28 19.08 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.465 -0.772 . . . . 0.0 112.892 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.6 mm -57.29 -41.75 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.024 0.93 . . . . 0.0 110.866 171.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -53.3 -45.6 69.03 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.341 1.056 . . . . 0.0 112.586 170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -62.85 -48.22 79.98 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.338 0.655 . . . . 0.0 111.069 176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.07 -52.3 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -50.88 -46.91 60.58 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.986 0.914 . . . . 0.0 112.038 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 m -65.19 -14.36 60.43 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.858 1.663 . . . . 0.0 113.9 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -87.67 -33.42 18.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 111.285 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.91 -37.01 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 120.069 1.304 . . . . 0.0 111.241 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -62.35 -17.23 58.42 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.837 0.855 . . . . 0.0 112.813 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.81 -21.43 44.28 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.985 -1.072 . . . . 0.0 113.163 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -101.02 -46.74 4.99 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.114 1.766 . . . . 0.0 112.411 -170.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -130.92 -16.4 3.26 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.09 1.356 . . . . 0.0 113.764 -177.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.08 6.33 56.93 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.681 1.032 . . . . 0.0 115.681 171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -64.6 120.34 64.89 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 125.747 1.619 . . . . 0.0 110.563 -173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.38 123.84 10.98 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.169 2.579 . . . . 0.0 112.559 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -63.84 -5.69 9.48 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 124.211 3.274 . . . . 0.0 115.834 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.61 -26.39 21.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.717 1.144 . . . . 0.0 112.113 173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.89 -32.86 18.74 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.321 -0.862 . . . . 0.0 112.747 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -86.05 153.97 21.75 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -129.76 163.43 26.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.788 2.435 . . . . 0.0 108.681 169.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.4 mt -113.61 146.26 40.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.913 0.885 . . . . 0.0 110.292 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 49' ' ' GLN . 24.7 mm -128.8 122.46 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.37 1.468 . . . . 0.0 110.331 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -143.14 146.07 33.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.762 1.225 . . . . 0.0 111.199 169.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.19 30.63 1.46 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.941 1.696 . . . . 0.0 113.651 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.22 -2.45 51.84 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 127.209 2.337 . . . . 0.0 115.813 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -89.68 133.64 34.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.089 1.756 . . . . 0.0 111.168 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' HD13 ' A' ' 44' ' ' ILE . 21.8 tt0 -74.24 108.25 6.91 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.618 0.767 . . . . 0.0 109.132 169.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -69.76 131.34 44.38 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.292 1.437 . . . . 0.0 111.256 -171.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.83 141.22 31.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.632 1.173 . . . . 0.0 111.559 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.45 -39.21 75.82 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -169.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.99 -3.72 89.47 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.426 1.012 . . . . 0.0 114.946 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -78.53 168.11 20.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.455 1.502 . . . . 0.0 110.899 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.0 p -110.08 172.38 6.9 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.786 1.234 . . . . 0.0 111.764 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.32 -46.6 83.06 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.785 0.834 . . . . 0.0 110.377 169.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.8 t -57.3 -33.67 67.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.98 1.312 . . . . 0.0 113.636 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -26.02 67.2 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.42 14.12 24.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.846 1.258 . . . . 0.0 112.415 174.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 57.0 26.26 11.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.938 2.095 . . . . 0.0 113.279 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 129.25 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.734 1.614 . . . . 0.0 109.324 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -101.78 171.46 7.52 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.857 1.263 . . . . 0.0 111.234 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 149.86 35.69 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.346 -0.846 . . . . 0.0 111.488 169.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 54.61 22.88 4.26 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.0 2.12 . . . . 0.0 114.844 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.7 m -60.87 149.38 36.33 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.32 -0.862 . . . . 0.0 111.329 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 p -118.05 81.42 1.67 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.422 1.489 . . . . 0.0 111.235 -174.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.19 175.7 7.58 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.2 1.4 . . . . 0.0 111.45 -176.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -120.05 150.63 40.26 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.982 0.913 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -115.67 144.64 43.65 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.071 . . . . 0.0 109.727 168.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.31 137.84 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 125.021 1.328 . . . . 0.0 110.652 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.14 135.93 47.84 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.223 1.009 . . . . 0.0 111.657 -174.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -60.36 -20.31 58.95 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.31 -11.14 38.76 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.559 1.943 . . . . 0.0 114.124 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -62.82 -16.94 60.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.395 1.478 . . . . 0.0 114.48 170.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.02 177.98 19.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.372 1.463 . . . . 0.0 114.083 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 C-N-CA 126.252 1.882 . . . . 0.0 113.452 179.681 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 N--CA 1.482 0.83 0 N-CA-C 112.616 0.199 . . . . 0.0 112.616 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -77.08 51.64 3.23 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.394 1.474 . . . . 0.0 114.866 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 35.3 pt -71.98 -179.81 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 126.185 1.794 . . . . 0.0 112.517 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 16.3 m -63.43 -7.01 5.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -172.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -158.71 169.65 35.12 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.963 1.268 . . . . 0.0 113.409 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -75.83 -30.66 57.41 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.919 -0.754 . . . . 0.0 114.668 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -64.38 94.4 0.16 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.061 1.791 . . . . 0.0 113.082 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.66 86.17 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.635 1.112 . . . . 0.0 114.167 -172.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . -94.7 -76.61 1.33 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 125.633 1.587 . . . . 0.0 111.804 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.47 0.18 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.075 1.35 . . . . 0.0 113.963 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 12.9 tp -76.7 4.29 9.85 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 128.746 2.818 . . . . 0.0 113.552 -174.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -55.12 141.43 60.38 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 120.599 -1.313 . . . . 0.0 114.104 -171.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.65 -22.66 4.4 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 124.458 3.439 . . . . 0.0 114.104 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.01 -30.94 70.59 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -170.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.09 -17.07 41.44 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.36 -29.45 30.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.008 1.323 . . . . 0.0 113.221 171.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.24 14.72 11.34 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -169.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -51.45 -37.89 50.99 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -63.06 -55.14 28.06 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.825 1.25 . . . . 0.0 112.069 172.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -63.4 -35.9 81.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.418 1.087 . . . . 0.0 112.807 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.1 -49.18 77.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.507 1.123 . . . . 0.0 111.169 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.45 81.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.729 1.212 . . . . 0.0 112.586 171.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.47 -47.07 87.72 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.074 0.852 . . . . 0.0 111.786 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.61 -46.92 88.46 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.377 -0.827 . . . . 0.0 112.565 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -53.78 -53.6 49.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.208 0.603 . . . . 0.0 111.716 174.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -64.75 -32.5 74.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.953 1.301 . . . . 0.0 113.092 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 54.7 mtm -70.08 -32.78 71.02 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.712 -0.661 . . . . 0.0 112.511 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 153.41 11.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.543 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -120.78 90.81 3.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.894 2.347 . . . . 0.0 112.82 -169.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -74.8 -3.4 31.49 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.07 76.9 1.73 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.912 1.685 . . . . 0.0 112.169 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -52.71 -41.34 63.83 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.082 -1.011 . . . . 0.0 113.584 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.28 -44.96 96.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.842 0.857 . . . . 0.0 112.949 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -67.65 -43.81 79.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.644 0.778 . . . . 0.0 111.808 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.85 -47.57 80.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.986 0.914 . . . . 0.0 110.803 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 14.4 t -55.22 -55.82 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.617 1.167 . . . . 0.0 111.795 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.85 82.84 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.222 0.919 . . . . 0.0 112.407 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.87 -49.88 68.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.536 1.534 . . . . 0.0 112.56 175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.11 -41.51 98.3 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.092 1.357 . . . . 0.0 111.927 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -57.65 -48.83 78.38 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.344 1.058 . . . . 0.0 112.784 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -71.87 -36.06 69.97 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.103 0.865 . . . . 0.0 112.889 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 38.6 t -59.78 -36.77 77.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.797 1.639 . . . . 0.0 112.808 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 95.15 16.83 39.42 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.22 1.39 . . . . 0.0 113.527 -172.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 99.15 4.19 56.56 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.5 1.524 . . . . 0.0 115.571 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 14.5 m -84.65 125.78 32.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.267 1.534 . . . . 0.0 112.056 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 50.4 t -51.73 -53.04 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.962 1.705 . . . . 0.0 111.433 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -65.39 -31.98 73.38 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -69.91 -36.68 73.93 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.724 -0.61 . . . . 0.0 112.349 172.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.39 79.66 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.764 -0.845 . . . . 0.0 112.304 171.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.85 -46.49 81.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.561 1.944 . . . . 0.0 112.215 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.76 -41.22 86.05 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.916 0.886 . . . . 0.0 112.661 172.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 49.0 m -64.71 -41.92 95.65 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.147 0.979 . . . . 0.0 112.89 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.31 -46.9 88.39 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.927 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.18 -42.47 99.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.21 1.004 . . . . 0.0 112.892 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -66.3 -20.45 66.1 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.691 1.196 . . . . 0.0 113.206 175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 77.33 22.29 70.95 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.535 1.064 . . . . 0.0 113.972 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.72 -30.29 71.3 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.082 0.941 . . . . 0.0 112.471 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.255 1.343 0 C-N-CA 127.684 2.394 . . . . 0.0 112.018 173.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.54 162.02 31.26 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.849 -1.157 . . . . 0.0 110.651 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.52 166.9 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 126.163 1.785 . . . . 0.0 109.827 169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -126.62 148.36 49.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.399 1.48 . . . . 0.0 109.918 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.59 125.06 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.91 0.884 . . . . 0.0 111.868 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.538 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 0.9 OUTLIER -113.93 122.98 48.62 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.257 1.423 . . . . 0.0 113.0 -169.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.0 p -69.52 166.61 18.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.2 -33.02 74.48 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.895 0.878 . . . . 0.0 112.019 169.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -66.78 -39.65 87.88 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.382 1.473 . . . . 0.0 111.949 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 130.75 11.37 2.38 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.145 1.355 . . . . 0.0 116.444 170.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.67 136.89 36.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.73 2.012 . . . . 0.0 110.781 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -108.72 118.63 37.29 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.287 1.435 . . . . 0.0 110.64 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mm -96.2 157.66 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.848 2.059 . . . . 0.0 109.918 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -130.23 135.26 47.94 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.904 1.682 . . . . 0.0 108.753 169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.4 mt -131.25 162.22 30.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.898 1.679 . . . . 0.0 111.495 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -119.01 100.82 7.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.635 1.574 . . . . 0.0 110.924 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.6 m -130.95 176.51 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 126.458 1.903 . . . . 0.0 112.145 -175.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -114.08 164.83 13.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.612 1.565 . . . . 0.0 110.665 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -58.98 -18.75 36.92 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.192 0.997 . . . . 0.0 113.397 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.1 p -101.31 -6.37 24.23 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.068 2.147 . . . . 0.0 113.89 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.82 158.38 27.91 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.391 0.996 . . . . 0.0 110.998 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 p -91.14 161.29 15.15 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.364 -0.835 . . . . 0.0 112.951 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -57.09 -44.45 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.242 -0.911 . . . . 0.0 109.88 170.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -50.74 -42.7 57.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.423 1.489 . . . . 0.0 113.574 171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.08 -49.19 68.44 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.107 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 56' ' ' LEU . 59.0 t -55.47 -54.49 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 119.176 0.898 . . . . 0.0 111.159 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -32.64 71.94 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.294 0.952 . . . . 0.0 113.111 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -67.6 -14.79 63.24 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.005 1.322 . . . . 0.0 114.36 171.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -88.19 -30.93 19.38 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.161 1.346 . . . . 0.0 111.761 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.65 -35.61 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.501 1.046 . . . . 0.0 111.213 169.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.96 -17.29 61.82 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.965 0.906 . . . . 0.0 112.65 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -79.87 -22.67 42.58 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.106 -0.997 . . . . 0.0 112.963 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -99.29 -48.83 4.67 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.468 1.907 . . . . 0.0 111.8 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -119.0 -27.25 5.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.893 1.677 . . . . 0.0 112.831 -173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.23 4.43 61.14 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.444 1.021 . . . . 0.0 115.256 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.38 120.89 71.59 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.954 1.702 . . . . 0.0 110.565 -174.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -67.54 123.7 11.11 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.957 2.438 . . . . 0.0 112.88 -170.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.45 -5.76 12.1 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 124.105 3.203 . . . . 0.0 116.051 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.98 -19.67 20.69 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.045 1.293 . . . . 0.0 112.093 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.2 mp0 -87.94 -37.3 16.53 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.248 -0.907 . . . . 0.0 112.376 175.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.73 157.36 23.31 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 163.75 27.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.223 2.609 . . . . 0.0 108.283 168.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.7 mt -111.55 152.32 27.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.176 0.991 . . . . 0.0 111.127 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -134.98 128.95 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.93 1.292 . . . . 0.0 111.716 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -149.46 149.77 31.32 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.056 1.742 . . . . 0.0 111.561 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.59 31.27 1.31 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.314 1.846 . . . . 0.0 114.443 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.74 20.06 73.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 126.115 1.817 . . . . 0.0 114.836 -175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -118.84 145.22 45.83 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.11 1.764 . . . . 0.0 111.422 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.83 113.07 22.34 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.503 1.121 . . . . 0.0 110.192 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.35 140.8 45.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.611 0.765 . . . . 0.0 111.172 -171.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -87.5 141.71 28.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 111.464 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.26 -38.42 76.89 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -169.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.28 -3.48 89.78 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.191 0.901 . . . . 0.0 115.031 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -79.38 170.07 17.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.486 1.514 . . . . 0.0 111.356 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -105.36 169.98 8.15 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.464 1.106 . . . . 0.0 111.86 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.569 HD11 HG21 ' A' ' 26' ' ' VAL . 2.3 mm? -57.36 -48.8 78.09 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.078 0.951 . . . . 0.0 111.018 169.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.4 t -56.02 -31.41 63.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.954 1.302 . . . . 0.0 113.774 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -56.58 -34.79 67.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.847 1.259 . . . . 0.0 113.885 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -106.99 14.7 26.15 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.75 1.22 . . . . 0.0 112.343 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 62.78 24.84 14.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.611 1.564 . . . . 0.0 112.458 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 HD12 ' A' ' 56' ' ' LEU . 3.5 mm -62.67 122.11 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 172.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.82 176.45 6.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.965 1.706 . . . . 0.0 110.557 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 145.73 31.15 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.097 -1.002 . . . . 0.0 112.923 -173.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 56.99 22.28 7.09 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.986 2.114 . . . . 0.0 114.918 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 m -60.13 145.77 45.66 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.049 -1.032 . . . . 0.0 111.319 173.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 p -114.57 86.56 2.46 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.706 1.602 . . . . 0.0 110.99 -173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.74 176.84 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.007 1.323 . . . . 0.0 111.441 -174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.424 ' HA ' ' H ' ' A' ' 6' ' ' LYS . 15.8 m80 -123.98 156.22 36.79 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.176 0.991 . . . . 0.0 111.767 172.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.88 144.31 46.47 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.856 1.263 . . . . 0.0 109.981 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.1 139.27 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 125.542 1.537 . . . . 0.0 110.455 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.13 129.68 54.8 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.456 1.102 . . . . 0.0 112.471 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 40' ' ' GLN . 9.1 ptp180 -59.32 -27.31 65.77 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.4 pt? -108.16 -3.26 18.72 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.649 1.98 . . . . 0.0 114.406 -176.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.25 22.6 ptt180 45.8 -0.29 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 131.283 3.833 . . . . 0.0 119.777 176.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.26 179.59 48.0 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.941 1.734 . . . . 0.0 113.323 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 C-N-CA 125.494 1.521 . . . . 0.0 113.541 178.102 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.488 1.185 0 N-CA-C 113.921 0.7 . . . . 0.0 113.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -168.12 -176.41 38.57 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.297 1.427 . . . . 0.0 112.37 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 57.0 mt 52.06 -82.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 128.411 2.684 . . . . 0.0 112.804 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 29.4 m -64.76 -22.04 66.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.606 1.562 . . . . 0.0 113.606 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . 76.89 -164.68 53.18 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.719 1.152 . . . . 0.0 114.322 176.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -166.06 175.95 41.5 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.436 1.493 . . . . 0.0 113.194 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . 72.34 7.32 67.69 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.7 1.143 . . . . 0.0 115.85 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -168.51 174.42 43.22 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 126.468 1.985 . . . . 0.0 112.314 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.96 3.28 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.085 1.802 . . . . 0.0 112.803 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 19.9 pt -121.63 1.19 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 127.844 2.458 . . . . 0.0 112.801 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 74.4 mt -135.92 20.29 3.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 127.262 2.225 . . . . 0.0 113.113 -173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.99 152.25 51.31 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 121.005 -1.059 . . . . 0.0 112.456 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.76 -29.33 83.1 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.337 2.691 . . . . 0.0 113.95 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.75 -19.37 58.93 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -119.01 -31.18 4.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.898 1.279 . . . . 0.0 113.27 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -59.94 -30.8 69.31 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.494 1.518 . . . . 0.0 113.189 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.69 21.85 12.7 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.835 1.654 . . . . 0.0 113.403 -177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -52.78 -35.06 55.97 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -171.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.08 -55.62 20.75 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.516 1.126 . . . . 0.0 112.06 172.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -59.79 -39.49 85.15 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.345 1.458 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.16 -49.07 77.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.521 1.128 . . . . 0.0 111.428 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -62.06 -39.23 91.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.991 0.917 . . . . 0.0 113.309 175.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -57.95 -52.34 65.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.24 0.927 . . . . 0.0 110.536 173.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.29 -50.4 73.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.033 0.933 . . . . 0.0 112.324 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -50.76 -56.35 12.49 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.78 0.832 . . . . 0.0 111.947 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.54 -28.16 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 76.7 mtm -70.93 -22.33 62.24 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.875 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 140.52 6.58 0.98 Allowed Glycine 0 CA--C 1.539 1.568 0 N-CA-C 117.072 1.589 . . . . 0.0 117.072 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.07 87.74 2.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.637 2.218 . . . . 0.0 111.993 -170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -83.16 -6.04 59.34 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -78.19 86.17 4.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.098 1.359 . . . . 0.0 111.731 174.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -54.56 -41.58 69.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.195 0.998 . . . . 0.0 113.661 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.3 -43.89 98.13 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.981 0.81 . . . . 0.0 112.744 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -64.81 -44.76 88.84 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.322 1.049 . . . . 0.0 111.44 174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -45.94 90.25 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.457 0.703 . . . . 0.0 111.638 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.22 -52.49 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.499 1.119 . . . . 0.0 111.224 174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.02 82.76 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.513 1.052 . . . . 0.0 112.293 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -46.93 72.25 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.02 1.328 . . . . 0.0 112.118 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.54 -38.74 87.78 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.255 1.022 . . . . 0.0 112.115 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -54.81 -55.13 33.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.113 1.365 . . . . 0.0 112.35 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -34.46 72.25 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 45.8 t -62.04 -37.65 85.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.434 1.493 . . . . 0.0 112.97 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 97.27 17.41 31.82 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.284 1.421 . . . . 0.0 113.787 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.79 6.3 56.25 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.716 1.626 . . . . 0.0 115.179 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 74.0 m -90.33 122.82 33.57 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.989 1.395 . . . . 0.0 112.102 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 46.4 t -53.29 -58.59 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 126.097 1.759 . . . . 0.0 112.194 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -60.69 -33.55 73.03 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.049 0.94 . . . . 0.0 113.144 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -68.96 -38.21 84.41 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.963 0.792 . . . . 0.0 112.798 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.51 90.38 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.932 -0.746 . . . . 0.0 111.505 169.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.477 1.511 . . . . 0.0 112.268 175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.755 0.822 . . . . 0.0 113.0 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 71.1 m -63.8 -43.52 96.05 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.573 0.749 . . . . 0.0 112.455 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.38 -41.75 93.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.269 1.427 . . . . 0.0 112.342 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 49.5 mt -61.79 -47.42 85.22 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.619 1.568 . . . . 0.0 111.926 173.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.46 -15.51 62.34 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 71.79 25.83 74.1 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.16 1.362 . . . . 0.0 113.816 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -78.38 -20.69 50.7 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -170.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.483 1.18 0 C-N-CA 125.982 1.713 . . . . 0.0 113.177 171.144 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.006 0.431 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -138.23 166.02 25.22 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 0.0 110.063 169.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.92 167.24 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.631 1.572 . . . . 0.0 110.329 170.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -126.53 149.06 49.61 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.608 1.563 . . . . 0.0 109.752 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.39 126.45 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.923 0.889 . . . . 0.0 110.852 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.1 tmtp? -113.72 118.63 34.86 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.866 1.267 . . . . 0.0 112.807 -169.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.9 p -66.14 163.88 16.74 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.823 0.849 . . . . 0.0 112.301 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.33 -33.76 76.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 112.086 170.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.1 m -64.57 -40.75 96.12 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.624 1.57 . . . . 0.0 111.921 175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.68 10.72 2.27 Favored Glycine 0 CA--C 1.537 1.446 0 N-CA-C 116.42 1.328 . . . . 0.0 116.42 169.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -79.95 133.91 36.23 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.29 1.836 . . . . 0.0 110.6 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -102.6 114.27 28.35 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.878 1.271 . . . . 0.0 110.498 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mm -84.12 154.86 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.027 1.731 . . . . 0.0 108.7 169.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -132.58 135.39 45.89 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 109.259 171.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.2 mt -134.04 156.87 47.46 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.508 1.523 . . . . 0.0 112.164 -175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.48 100.07 8.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.626 1.571 . . . . 0.0 110.824 178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.11 179.09 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 126.561 1.944 . . . . 0.0 111.936 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -121.17 162.14 20.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 127.216 2.206 . . . . 0.0 110.548 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 m -56.54 -19.21 14.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.42 1.088 . . . . 0.0 113.692 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 m -93.58 -9.47 38.03 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.204 1.802 . . . . 0.0 113.393 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.97 141.4 58.75 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.41 1.005 . . . . 0.0 111.368 171.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.2 p -83.05 162.48 21.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -57.26 -42.51 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.765 0.826 . . . . 0.0 110.78 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.15 -44.14 71.16 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.491 1.116 . . . . 0.0 113.036 170.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -64.4 -49.46 71.49 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 123.089 0.555 . . . . 0.0 110.799 176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 56' ' ' LEU . 79.9 t -54.12 -53.32 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.762 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -48.29 -47.09 36.65 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.083 0.953 . . . . 0.0 112.331 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 t -66.72 -15.53 63.6 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.244 1.417 . . . . 0.0 113.469 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -86.42 -33.65 20.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.357 1.063 . . . . 0.0 111.103 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 26' ' ' VAL . 3.3 mp -57.62 -34.83 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 119.797 1.181 . . . . 0.0 111.426 169.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.07 -17.06 56.32 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.389 -0.819 . . . . 0.0 112.904 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.05 -20.65 44.75 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.042 -1.036 . . . . 0.0 113.156 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -102.27 -46.61 4.76 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.054 1.742 . . . . 0.0 112.331 -170.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -130.69 -14.81 3.57 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.193 1.397 . . . . 0.0 113.629 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.8 5.84 58.44 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 115.459 0.944 . . . . 0.0 115.459 171.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.82 120.95 70.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.853 1.661 . . . . 0.0 110.936 -172.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -68.29 124.06 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.236 2.624 . . . . 0.0 113.296 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -65.28 -7.57 16.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.901 3.067 . . . . 0.0 115.878 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.02 -13.09 31.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.629 1.104 . . . . 0.0 112.259 174.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -104.15 -31.43 9.64 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -78.87 151.94 31.52 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 122.418 1.104 . . . . 0.0 113.219 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtt85 -130.78 154.33 48.11 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.412 3.085 . . . . 0.0 108.972 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.1 mt -116.85 149.38 40.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.91 0.884 . . . . 0.0 111.491 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -131.29 125.6 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 125.72 1.608 . . . . 0.0 110.811 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -141.9 145.64 34.82 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 111.23 169.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.86 28.95 1.48 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.422 1.889 . . . . 0.0 113.35 -169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.44 -4.09 44.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 126.488 1.994 . . . . 0.0 116.26 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -88.0 143.2 27.23 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.203 1.501 . . . . 0.0 111.738 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.98 105.78 13.36 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.48 1.512 . . . . 0.0 110.112 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.84 126.46 29.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.419 1.488 . . . . 0.0 112.635 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -81.66 141.24 33.82 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.575 1.15 . . . . 0.0 111.865 -174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -57.13 -40.76 77.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.64 -3.08 90.24 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.274 0.94 . . . . 0.0 114.917 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -77.31 164.04 25.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.179 1.391 . . . . 0.0 110.95 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -104.23 168.23 9.24 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.638 1.175 . . . . 0.0 111.289 169.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 26' ' ' VAL . 66.0 mt -59.32 -42.78 92.23 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.771 0.828 . . . . 0.0 111.084 169.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -57.1 -32.56 66.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.316 1.046 . . . . 0.0 113.56 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -29.06 69.83 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -104.66 12.36 33.03 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.89 1.276 . . . . 0.0 112.36 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 56.21 28.66 13.52 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.751 2.021 . . . . 0.0 113.061 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mm -55.33 130.54 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.879 1.672 . . . . 0.0 109.244 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -107.65 173.34 6.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.605 1.162 . . . . 0.0 111.135 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 152.43 20.52 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.169 -0.957 . . . . 0.0 112.595 169.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.276 10.3 pt-20 47.08 26.0 0.57 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.818 2.847 . . . . 0.0 115.695 -171.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.5 m -61.97 151.03 36.15 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.362 -0.836 . . . . 0.0 111.681 172.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 p -121.18 88.79 3.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.047 1.739 . . . . 0.0 111.162 -172.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 176.58 5.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.415 1.486 . . . . 0.0 111.658 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -125.03 155.64 39.41 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.359 1.064 . . . . 0.0 111.982 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -123.56 147.81 46.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.837 1.255 . . . . 0.0 112.163 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.18 137.24 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.548 2.339 . . . . 0.0 109.783 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -103.96 130.18 51.57 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.124 1.37 . . . . 0.0 112.176 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.42 -10.09 59.2 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.43 -31.35 55.08 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.262 1.825 . . . . 0.0 113.492 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -55.23 -24.68 28.76 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.349 1.86 . . . . 0.0 114.019 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.35 60.49 0.07 OUTLIER Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.489 1.519 . . . . 0.0 114.317 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 CA-C-O 117.986 -1.452 . . . . 0.0 114.326 175.12 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.581 0.57 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . 77.86 12.03 84.83 Favored Glycine 0 CA--C 1.538 1.483 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.68 115.73 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.707 1.603 . . . . 0.0 110.625 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 38.9 t -149.26 157.12 43.08 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.802 1.641 . . . . 0.0 111.449 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -88.13 -6.67 74.72 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.08 1.324 . . . . 0.0 114.199 171.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . -77.9 44.15 2.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.274 1.893 . . . . 0.0 115.01 -175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -62.77 -20.1 61.56 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 124.922 1.248 . . . . 0.0 115.326 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . -111.25 14.8 28.08 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 126.388 1.947 . . . . 0.0 113.894 171.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 76.96 -71.52 2.18 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.679 1.609 . . . . 0.0 111.226 -169.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.61 88.18 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.661 2.384 . . . . 0.0 109.161 171.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 67.5 tp -82.78 -60.33 2.21 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.5 1.52 . . . . 0.0 112.547 -169.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.71 152.18 82.89 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.303 1.041 . . . . 0.0 112.275 -176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -62.66 -29.45 77.68 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 122.94 2.426 . . . . 0.0 113.68 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.22 -19.03 61.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -118.13 -34.89 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.624 1.57 . . . . 0.0 112.825 176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -62.97 -34.87 78.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.05 1.74 . . . . 0.0 113.044 174.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -117.1 16.6 14.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.412 1.485 . . . . 0.0 113.351 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -48.04 -50.17 28.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.181 1.355 . . . . 0.0 113.412 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -49.37 -53.2 23.66 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.123 1.369 . . . . 0.0 113.026 171.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -66.82 -42.15 86.31 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.707 1.603 . . . . 0.0 111.102 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 70.5 mt -56.39 -50.48 71.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.775 1.63 . . . . 0.0 111.275 171.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -58.82 -42.15 88.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.222 1.009 . . . . 0.0 112.38 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -58.92 -48.29 81.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.571 0.749 . . . . 0.0 111.483 174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.55 -48.79 80.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.949 0.899 . . . . 0.0 112.52 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -52.32 -48.74 65.24 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.23 -0.919 . . . . 0.0 111.783 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.71 -25.52 67.98 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.19 1.396 . . . . 0.0 113.408 -177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 50.6 mtt -68.29 -29.55 68.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.069 -1.019 . . . . 0.0 112.388 169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 132.81 4.39 3.41 Favored Glycine 0 CA--C 1.541 1.705 0 C-N-CA 125.599 1.571 . . . . 0.0 115.793 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -98.57 80.96 2.63 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.753 2.277 . . . . 0.0 111.273 -172.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.13 -5.39 46.42 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.88 80.3 5.24 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.972 1.709 . . . . 0.0 112.085 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -52.82 -52.0 58.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.632 1.173 . . . . 0.0 113.887 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.72 -37.35 83.88 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.388 -0.82 . . . . 0.0 112.817 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -64.48 -45.78 85.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.055 1.342 . . . . 0.0 111.382 174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.45 -44.09 97.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.481 1.112 . . . . 0.0 111.552 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.54 -50.9 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.127 0.971 . . . . 0.0 111.288 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.5 84.47 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.191 0.905 . . . . 0.0 112.017 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.41 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.663 1.185 . . . . 0.0 112.236 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.16 -41.18 97.26 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.862 1.265 . . . . 0.0 112.144 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.21 -53.24 59.55 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 112.647 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -32.47 65.71 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 178.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 28.5 t -60.43 -39.33 87.06 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.683 1.593 . . . . 0.0 113.139 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.44 18.79 34.59 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.099 1.333 . . . . 0.0 113.55 -170.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 97.06 -2.98 61.86 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 126.238 1.875 . . . . 0.0 115.618 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 43.6 t -68.97 125.33 26.31 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.152 1.976 . . . . 0.0 111.224 174.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.52 -53.11 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.903 1.281 . . . . 0.0 110.424 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -70.7 -29.65 66.0 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.0 95.98 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.395 -0.816 . . . . 0.0 112.102 169.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.7 83.88 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.934 0.893 . . . . 0.0 112.336 171.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.87 -50.29 69.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 126.328 1.851 . . . . 0.0 112.012 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -55.2 -43.73 74.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.33 0.652 . . . . 0.0 112.429 173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 50.5 m -65.37 -49.03 70.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.7 -48.57 80.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.106 1.762 . . . . 0.0 111.731 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 30.3 tp -72.9 -33.15 65.84 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.363 1.865 . . . . 0.0 112.999 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -82.37 -18.08 43.31 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.35 32.27 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.777 1.18 . . . . 0.0 115.426 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -19.55 65.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.308 1.443 . . . . 0.0 113.521 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.25 1.117 0 C-N-CA 128.425 2.69 . . . . 0.0 111.858 175.239 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.169 0.509 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -136.26 165.84 24.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.78 1.232 . . . . 0.0 110.272 170.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -146.21 168.22 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.481 1.912 . . . . 0.0 109.819 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.59 149.41 49.47 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.536 1.535 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.9 131.17 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.029 0.931 . . . . 0.0 111.541 -178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.536 ' HE2' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -117.41 122.09 42.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.997 1.319 . . . . 0.0 113.043 -169.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.9 p -68.63 168.64 12.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.09 0.956 . . . . 0.0 112.999 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -71.07 -34.02 70.78 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.331 -0.856 . . . . 0.0 111.795 169.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -62.27 -40.4 96.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.541 1.536 . . . . 0.0 111.621 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' HA2' ' HE2' ' A' ' 6' ' ' LYS . . . 131.06 10.72 2.43 Favored Glycine 0 CA--C 1.536 1.397 0 N-CA-C 116.503 1.361 . . . . 0.0 116.503 169.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -80.13 132.84 36.0 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.888 1.675 . . . . 0.0 110.775 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -102.72 113.71 27.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.403 1.481 . . . . 0.0 110.237 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 mm -85.81 157.74 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.998 2.119 . . . . 0.0 109.782 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -132.71 134.66 45.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.672 1.589 . . . . 0.0 109.238 172.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.86 157.66 43.35 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.627 1.571 . . . . 0.0 111.828 -176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.17 99.43 8.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.587 1.555 . . . . 0.0 110.877 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.1 175.21 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.245 1.818 . . . . 0.0 111.822 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -113.39 164.6 13.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.343 1.457 . . . . 0.0 110.3 169.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 p -60.31 -16.59 35.96 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.6 p -100.21 -7.09 25.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.04 2.136 . . . . 0.0 114.11 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -65.88 156.75 32.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 111.454 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.5 p -90.27 162.02 15.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.6 mm -57.92 -41.54 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.164 -0.96 . . . . 0.0 110.879 171.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -54.52 -43.19 71.67 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.349 1.06 . . . . 0.0 112.851 170.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -64.86 -48.01 75.84 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.968 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.77 -55.33 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-O 118.832 -0.604 . . . . 0.0 110.516 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -49.37 -45.28 45.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.159 0.984 . . . . 0.0 112.668 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -64.42 -18.29 64.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.451 1.501 . . . . 0.0 113.032 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -85.46 -33.32 21.9 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 120.928 -1.108 . . . . 0.0 111.241 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -57.36 -33.63 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.809 1.186 . . . . 0.0 111.129 169.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -15.06 49.03 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.305 -0.872 . . . . 0.0 112.929 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -84.41 -21.88 30.62 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.939 -1.101 . . . . 0.0 113.267 171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -101.64 -38.25 8.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.324 1.85 . . . . 0.0 112.888 -171.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -131.44 -21.08 2.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.718 1.607 . . . . 0.0 113.361 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.3 6.17 64.83 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.124 0.868 . . . . 0.0 114.927 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -65.43 119.74 62.23 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.816 1.646 . . . . 0.0 110.587 -174.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -67.97 123.96 11.27 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.281 2.654 . . . . 0.0 112.516 -171.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.62 -13.1 34.58 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.982 3.121 . . . . 0.0 115.237 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.04 -30.26 58.35 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.347 1.059 . . . . 0.0 112.261 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -96.62 -27.17 14.93 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -86.89 153.62 21.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.281 1.039 . . . . 0.0 112.842 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -131.81 158.11 42.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 128.529 2.732 . . . . 0.0 109.201 171.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.7 mt -117.55 152.28 35.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.541 1.136 . . . . 0.0 110.702 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 49' ' ' GLN . 39.7 mm -131.58 128.71 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.557 1.543 . . . . 0.0 111.15 -175.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -147.07 148.63 31.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 111.455 169.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 29.31 1.75 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.967 1.707 . . . . 0.0 113.728 -172.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 -3.86 36.38 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.368 2.414 . . . . 0.0 115.769 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -86.64 137.09 32.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.109 1.764 . . . . 0.0 111.179 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.493 ' HA ' HD13 ' A' ' 44' ' ' ILE . 19.4 tt0 -77.02 115.32 16.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.221 1.008 . . . . 0.0 109.691 169.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -79.18 137.02 37.27 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.664 1.186 . . . . 0.0 112.134 -169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -91.42 142.55 27.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.328 1.451 . . . . 0.0 111.965 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -59.02 -39.75 82.86 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -169.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.2 -3.46 88.44 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.238 0.923 . . . . 0.0 114.842 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -78.8 167.6 20.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.612 1.565 . . . . 0.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -108.02 170.99 7.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.581 1.152 . . . . 0.0 111.455 169.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -57.31 -47.99 80.08 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.634 0.774 . . . . 0.0 110.269 169.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -56.9 -31.56 65.01 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.883 1.273 . . . . 0.0 113.745 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -30.26 68.64 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.073 -1.017 . . . . 0.0 113.702 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -105.46 13.88 29.52 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.986 1.315 . . . . 0.0 112.413 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 57.3 26.76 12.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.433 2.293 . . . . 0.0 113.077 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.11 118.47 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.141 1.376 . . . . 0.0 109.36 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -89.58 171.04 9.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.673 1.189 . . . . 0.0 110.601 171.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 159.32 12.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.625 -0.672 . . . . 0.0 111.331 169.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . 0.256 9.6 pt-20 50.3 19.89 0.58 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.34 2.656 . . . . 0.0 115.436 -178.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.0 t -67.38 153.17 44.31 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.179 0.991 . . . . 0.0 111.979 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 p -118.78 91.0 3.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.021 1.729 . . . . 0.0 111.517 -171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -96.56 176.08 6.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.459 1.504 . . . . 0.0 111.642 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -124.61 155.5 39.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.377 1.071 . . . . 0.0 111.356 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.41 147.93 45.07 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.619 1.167 . . . . 0.0 112.54 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.06 125.57 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.841 2.056 . . . . 0.0 110.894 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.08 141.25 30.39 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.606 1.163 . . . . 0.0 111.339 173.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -71.71 -16.91 62.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.91 137.64 57.87 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.501 1.92 . . . . 0.0 112.606 -173.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.71 170.74 16.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.911 1.685 . . . . 0.0 112.229 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.42 5.79 88.28 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.933 1.254 . . . . 0.0 115.813 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 C-N-CA 125.803 1.668 . . . . 0.0 113.024 178.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 N--CA 1.486 1.07 0 N-CA-C 111.576 -0.202 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' GLY . . . . . . . . . . . . . . . -93.52 64.11 1.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.466 1.508 . . . . 0.0 112.534 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.63 -20.44 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -172.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' SER . . . . . . . . . . . . . 52.2 p -65.48 -19.48 65.95 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.665 1.586 . . . . 0.0 114.295 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -136.59 7.59 3.94 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.994 1.759 . . . . 0.0 114.91 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 75.18 16.26 80.69 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.799 1.19 . . . . 0.0 114.932 -176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' GLY . . . . . . . . . . . . . . . -74.13 158.48 51.99 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.92 1.248 . . . . 0.0 113.878 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' GLY . . . . . . . . . . . . . . . 159.21 -169.92 35.47 Favored Glycine 0 CA--C 1.532 1.152 0 O-C-N 121.754 -0.85 . . . . 0.0 113.244 -174.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' GLY . . . . . . . . . . . . . . . 61.89 -103.86 0.64 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.001 1.286 . . . . 0.0 112.874 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -12.79 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 47.7 tp -72.34 -40.63 67.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.899 1.28 . . . . 0.0 112.666 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -108.57 142.1 24.69 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.62 1.168 . . . . 0.0 112.599 -171.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.52 -17.21 23.79 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.861 3.041 . . . . 0.0 113.946 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.75 -27.1 38.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.791 2.036 . . . . 0.0 115.124 -174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -117.02 -18.68 10.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.488 1.515 . . . . 0.0 113.658 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -78.17 -24.27 47.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.777 1.231 . . . . 0.0 113.334 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -120.25 15.19 12.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.616 1.566 . . . . 0.0 113.64 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.71 -36.38 46.57 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -169.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -63.73 -54.89 28.26 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.584 1.154 . . . . 0.0 112.191 173.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.98 -40.65 96.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.568 1.147 . . . . 0.0 111.889 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.82 -51.05 71.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.939 1.296 . . . . 0.0 111.358 171.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.43 -44.37 89.09 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.74 1.216 . . . . 0.0 112.225 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -57.65 -55.1 39.27 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.669 0.787 . . . . 0.0 110.407 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . . . . . . . . . 82.8 mt -54.66 -44.65 73.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.449 1.022 . . . . 0.0 113.0 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -54.12 -55.65 25.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.995 0.518 . . . . 0.0 111.904 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.45 -32.58 73.47 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.688 1.195 . . . . 0.0 113.202 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' MET . . . . . . . . . . . . . 68.1 mtp -67.86 -32.29 72.7 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.593 1.557 . . . . 0.0 111.867 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLY . . . . . . . . . . . . . . . 148.97 8.87 0.17 Allowed Glycine 0 CA--C 1.538 1.507 0 N-CA-C 117.53 1.772 . . . . 0.0 117.53 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.36 87.84 2.79 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.55 2.175 . . . . 0.0 111.898 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.39 -8.54 56.61 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.0 85.25 1.28 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.356 1.863 . . . . 0.0 112.503 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -48.38 -57.36 6.16 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.933 1.693 . . . . 0.0 113.411 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.07 -36.95 81.0 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.0 -47.6 76.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 111.312 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -61.2 -45.48 94.43 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.355 1.062 . . . . 0.0 111.734 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.0 -52.57 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.7 1.2 . . . . 0.0 110.842 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.81 92.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.829 0.74 . . . . 0.0 111.516 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.85 86.37 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.398 1.079 . . . . 0.0 112.165 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . . . . . . . . . 43.3 mt -63.49 -40.6 97.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.305 1.042 . . . . 0.0 110.954 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -61.71 -35.06 76.93 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -62.63 -50.68 70.25 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.951 1.251 . . . . 0.0 110.505 169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' SER . . . . . . . . . . . . . 5.9 t -74.51 -24.39 58.98 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' GLY . . . . . . . . . . . . . . . 94.75 20.1 29.85 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.27 1.414 . . . . 0.0 113.581 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.99 57.77 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.206 1.86 . . . . 0.0 114.826 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 73.0 m -78.8 105.7 10.3 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 118.768 1.284 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' VAL . . . . . . . . . . . . . 8.3 p -42.96 -54.62 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 128.169 2.588 . . . . 0.0 115.233 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -72.52 -25.9 61.56 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.8 62.16 Favored Glycine 0 CA--C 1.536 1.349 0 O-C-N 121.274 -0.891 . . . . 0.0 111.48 169.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.73 99.47 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.249 1.02 . . . . 0.0 112.231 169.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.78 -47.12 80.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.635 1.574 . . . . 0.0 112.41 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.74 -41.42 90.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.626 -0.671 . . . . 0.0 112.579 171.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -40.97 97.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.356 1.062 . . . . 0.0 112.722 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.79 -49.06 77.85 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.754 1.621 . . . . 0.0 111.533 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.69 -41.47 99.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.939 0.895 . . . . 0.0 113.018 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -69.75 -18.17 63.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.478 1.111 . . . . 0.0 113.494 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . 74.1 25.67 70.6 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.48 1.038 . . . . 0.0 113.899 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.37 -31.66 72.89 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.597 1.159 . . . . 0.0 113.102 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.252 1.205 0 C-N-CA 126.824 2.05 . . . . 0.0 113.039 173.732 . . . . . . . . 0 0 . 1 stop_ save_